 | | XIZ | | Name: | (E)-PYRIDIN-4-YL-ACRYLIC ACID | | Formula: | C8 H7 N O2 | | SMILES: | O=C(O)C=Cc1ccncc1 | | InChi: | InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+ | | Synonyms: | (2E)-3-PYRIDIN-4-YLPROP-2-ENOIC ACID | | Definition date: | 2010-07-01 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-pyridin-4-ylprop-2-enoic acid |
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 | | PZP | | Name: | [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate | | Formula: | C8 H11 N2 O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1C=[N@H])C | | InChi: | InChI=1S/C8H11N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h2-3,9,11H,4H2,1H3,(H2,12,13,14)/b9-2+ | | Synonyms: | pyridoximine-5'-phosphate | | Definition date: | 2010-04-23 | | Last modified: | 2021-03-01 | | Identifier: | {5-hydroxy-4-[(E)-iminomethyl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate |
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 | | 5R2 | | Name: | 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C37 H50 N6 O9 S | | SMILES: | CCc1nc2ccc(OC)cc2nc1O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)NC(=O)OC(C)(C)C | | InChi: | InChI=1S/C37H50N6O9S/c1-6-26-32(39-29-18-23(50-5)14-17-27(29)38-26)51-24-19-30-31(44)41-37(34(46)42-53(48,49)25-15-16-25)20-22(37)12-10-8-7-9-11-13-28(33(45)43(30)21-24)40-35(47)52-36(2,3)4/h10,12,14,17-18,22,24-25,28,30H,6-9,11,13,15-16,19-21H2,1-5H3,(H,40,47)(H,41,44)(H,42,46)/b12-10+/t22-,24+,28-,30-,37+/m0/s1 | | Synonyms: | MK-5172 P1-P3 macrocyclic analogue | | Definition date: | 2015-11-12 | | Last modified: | 2021-03-01 | | Release date: | 2016-01-13 |
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 | | TOF | | Name: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione | | Formula: | C7 H7 N5 O2 | | SMILES: | O=C2N=C1C(=NC=NN1C)C(=O)N2C | | InChi: | InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3 | | Synonyms: | Toxoflavin | | Definition date: | 2010-09-27 | | Last modified: | 2021-03-01 | | Identifier: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione |
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 | | UVP | | Name: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium | | Formula: | C11 H16 N2 O8 P | | SMILES: | O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O | | InChi: | InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1 | | Synonyms: | uridine vinyl phosphonate | | Definition date: | 2016-11-15 | | Last modified: | 2021-03-01 | | Release date: | 2016-12-14 | | Identifier: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium |
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 | | PM7 | | Name: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one | | Formula: | C21 H25 N3 O | | SMILES: | N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cccc4)n5)(C)C)C6 | | InChi: | InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20+,21-/m0/s1 | | Synonyms: | premalbrancheamide E | | Definition date: | 2017-07-17 | | Last modified: | 2021-03-01 | | Release date: | 2017-08-16 | | Identifier: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
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 | | KAL | | Name: | Kalimantacin | | Formula: | C30 H48 N2 O7 | | SMILES: | C[CH](CC=CC=CCCC(=C)C[CH](C)CC(C)=CC(O)=O)CC(=O)C[CH](O)CNC(=O)[CH](C)[CH](C)OC(N)=O | | InChi: | InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7-,11-9+,23-17+/t21-,22+,24+,25+,27+/m0/s1 | | Synonyms: | batumin | | Definition date: | 2019-01-21 | | Last modified: | 2021-03-01 | | Release date: | 2020-04-01 | | Identifier: | (2~{E},5~{R},10~{Z},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid |
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 | | P7Y | | Name: | 2-[(E)-2-nitroethenyl]phenol | | Formula: | C8 H7 N O3 | | SMILES: | [O-][N+](=O)/C=C/c1ccccc1O | | InChi: | InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+ | | Synonyms: | (E)-1-(2'-hydroxyphenyl)-2-nitroethene | | Definition date: | 2010-10-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-[(E)-2-nitroethenyl]phenol |
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 | | VCG | | Name: | 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside | | Formula: | C32 H60 O10 | | SMILES: | C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)CCCCC[C@H]=[C@H]CCCCCCCC | | InChi: | InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+/t28-,29+,31-,32+/m1/s1 | | Synonyms: | Polysorbate 80 | | Definition date: | 2020-07-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-08-26 | | Identifier: | 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside |
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 | | TAX | | Name: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM | | Formula: | C26 H30 N O | | SMILES: | O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C | | InChi: | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+ | | Synonyms: | CIS FORM OF TAMOXIFEN | | Definition date: | 2000-08-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium |
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 | | 5TR | | Name: | [(2~{E},6~{E},10~{E},14~{E},18~{Z},22~{E},26~{Z},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate | | Formula: | C55 H91 O4 P | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O | | InChi: | InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31-,50-33+,51-35-,52-37+,53-39+,54-41+,55-43+ | | Synonyms: | Undecaprenyl phosphate | | Definition date: | 2015-11-30 | | Last modified: | 2021-03-01 | | Release date: | 2016-02-17 | | Identifier: | [(2~{E},6~{E},10~{E},14~{E},18~{Z},22~{E},26~{Z},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate |
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 | | NLX | | Name: | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM | | Formula: | C20 H24 N O4 | | SMILES: | O=C5C3Oc1c2c(ccc1O)CC4C(O)(C23CC[N+]4(C)C/C=C)CC5 | | InChi: | InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1 | | Synonyms: | N-METHYLNALOXONIUM | | Definition date: | 2002-10-24 | | Last modified: | 2021-03-01 | | Identifier: | (5alpha,17S)-3,14-dihydroxy-17-methyl-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium |
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 | | X8W | | Name: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one | | Formula: | C15 H12 O5 | | SMILES: | O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2 | | InChi: | InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H | | Synonyms: | NARINGENIN CHALCONE | | Definition date: | 2014-04-24 | | Last modified: | 2021-03-01 | | Release date: | 2015-04-08 | | Identifier: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
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 | | XPG | | Name: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid | | Formula: | C20 H34 O5 | | SMILES: | O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC | | InChi: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1 | | Synonyms: | Prostaglandin E1 | | Definition date: | 2013-09-17 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-10 | | Identifier: | (11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid |
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 | | KET | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID | | Formula: | C12 H16 N2 O9 P | | SMILES: | O=C(O)CC(/N=C/c1c(c[nH+]c(c1O)C)COP(=O)(O)O)C(=O)O | | InChi: | InChI=1S/C12H15N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3-4,9,17H,2,5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/p+1/b14-4+/t9-/m0/s1 | | Synonyms: | PYRIDOXYLIDENE-ASPARTIC ACID-5-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methylidene)-L-aspartic acid |
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 | | XT1 | | Name: | (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid | | Formula: | C45 H70 O13 | | SMILES: | O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C)C5OC4(OCCCC4C)CCC5C)CC6)C)C(O)CC7 | | InChi: | InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1 | | Synonyms: | DINOPHYSISTOXIN-1 | | Definition date: | 2009-10-22 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-[(2S,5R,6R,8S)-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid |
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 | | KGD | | Name: | beta,psi-caroten-4-one | | Formula: | C40 H54 O | | SMILES: | C1(C)(CCC(C(=C1C=[C@H]C(=[C@H]C=[C@H]C(=[C@H]C=[C@H]C=C(/C)C=[C@H]/C=C(/C=[C@H]/C=C(/CCC=C(C)C)C)C)C)C)C)=O)C | | InChi: | InChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-12,14-19,21-28H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+ | | Synonyms: | Keto-gamma-carotene | | Definition date: | 2018-02-02 | | Last modified: | 2021-03-01 | | Release date: | 2018-05-02 | | Identifier: | beta,psi-caroten-4-one |
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 | | ZEA | | Name: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol | | Formula: | C10 H13 N5 O | | SMILES: | n2c1c(ncn1)c(nc2)NCC=C(/C)CO | | InChi: | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+ | | Synonyms: | TRANS-ZEATIN | | Definition date: | 2004-06-23 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol |
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 | | OLY | | Name: | methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate | | Formula: | C40 H55 N7 O10 S | | SMILES: | C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc3c(C)nc4c(n3)CC(OC)=CC4)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)C7(NC(=O)OC)CCCC7)=O | | InChi: | InChI=1S/C40H55N7O10S/c1-24-33(42-30-20-26(55-3)14-15-28(30)41-24)57-27-21-31-32(48)44-40(36(51)46-58(53,54)38(2)18-19-38)22-25(40)12-8-6-5-7-9-13-29(34(49)47(31)23-27)43-35(50)39(16-10-11-17-39)45-37(52)56-4/h8,12,14,25,27,29,31H,5-7,9-11,13,15-23H2,1-4H3,(H,43,50)(H,44,48)(H,45,52)(H,46,51)/b12-8-/t25-,27-,29+,31+,40-/m1/s1 | | Synonyms: | P4-P5-5 (WK-25) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate |
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 | | V2H | | Name: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol | | Formula: | C28 H44 O2 | | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1 | | Synonyms: | 1-alpha-hydroxy-vitamin D2 | | Definition date: | 2008-07-02 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol |
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 | | R27 | | Name: | N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide | | Formula: | C46 H73 N3 O12 | | SMILES: | C4C(C=C(/C)C3C(C)C(CC(=NNC(=O)C)C(C=C(CC(C)CC(OC)C1C(OC)CC(C(O1)(O)C(C(N2C(CCCC2)C(O3)=O)=O)=O)C)C)C[C@H]=C)O)CCC(C4OC)O | | InChi: | InChI=1S/C46H73N3O12/c1-11-14-33-20-26(2)19-27(3)21-39(58-9)42-40(59-10)23-29(5)46(56,61-42)43(53)44(54)49-18-13-12-15-35(49)45(55)60-41(30(6)37(52)25-34(33)48-47-31(7)50)28(4)22-32-16-17-36(51)38(24-32)57-8/h11,20,22,27,29-30,32-33,35-42,51-52,56H,1,12-19,21,23-25H2,2-10H3,(H,47,50)/b26-20+,28-22+,48-34-/t27-,29+,30+,32-,33+,35-,36+,37-,38+,39-,40-,41+,42+,46+/m0/s1 | | Synonyms: | APX879 | | Definition date: | 2020-01-23 | | Last modified: | 2021-03-01 | | Release date: | 2020-12-16 | | Identifier: | N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide |
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 | | OMS | | Name: | 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C38 H50 N6 O9 S | | SMILES: | C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc4nc3c(ccc(c3)OC)nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)OC7(C)CCC7)=O | | InChi: | InChI=1S/C38H50N6O9S/c1-23-32(40-29-19-25(51-4)13-14-27(29)39-23)52-26-20-30-31(45)42-38(34(47)43-54(49,50)37(3)17-18-37)21-24(38)11-8-6-5-7-9-12-28(33(46)44(30)22-26)41-35(48)53-36(2)15-10-16-36/h8,11,13-14,19,24,26,28,30H,5-7,9-10,12,15-18,20-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b11-8-/t24-,26-,28+,30+,38-/m1/s1 | | Synonyms: | P4-2 (NR02-61) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | OMV | | Name: | 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C40 H54 N6 O9 S | | SMILES: | C4(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC6(C(C=CCCCCCC4NC(=O)OC5(CC)CCCC5)C6)C(NS(C7(CC7)C)(=O)=O)=O)=O | | InChi: | InChI=1S/C40H54N6O9S/c1-5-39(17-11-12-18-39)55-37(50)43-30-14-10-8-6-7-9-13-26-23-40(26,36(49)45-56(51,52)38(3)19-20-38)44-33(47)32-22-28(24-46(32)35(30)48)54-34-25(2)41-29-16-15-27(53-4)21-31(29)42-34/h9,13,15-16,21,26,28,30,32H,5-8,10-12,14,17-20,22-24H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b13-9-/t26-,28-,30+,32+,40-/m1/s1 | | Synonyms: | P4-5 (NR01-97) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | ON4 | | Name: | 1-methylcyclopropyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C37 H48 N6 O9 S | | SMILES: | C5(N1C(CC(C1)Oc3nc2cc(OC)ccc2nc3C)C(=O)NC7(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6(C)CC6)C7)=O | | InChi: | InChI=1S/C37H48N6O9S/c1-22-31(39-28-18-24(50-4)12-13-26(28)38-22)51-25-19-29-30(44)41-37(33(46)42-53(48,49)36(3)16-17-36)20-23(37)10-8-6-5-7-9-11-27(32(45)43(29)21-25)40-34(47)52-35(2)14-15-35/h8,10,12-13,18,23,25,27,29H,5-7,9,11,14-17,19-21H2,1-4H3,(H,40,47)(H,41,44)(H,42,46)/b10-8-/t23-,25-,27+,29+,37-/m1/s1 | | Synonyms: | P4-1 (NR02-24) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | 1-methylcyclopropyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | OL7 | | Name: | methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate | | Formula: | C42 H57 N7 O10 S | | SMILES: | C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(OC)=O)C7CCCCC7)=O)=O)=O | | InChi: | InChI=1S/C42H57N7O10S/c1-25-37(45-32-21-28(57-3)17-18-30(32)43-25)59-29-22-33-35(50)47-42(39(53)48-60(55,56)41(2)19-20-41)23-27(42)15-11-6-5-7-12-16-31(38(52)49(33)24-29)44-36(51)34(46-40(54)58-4)26-13-9-8-10-14-26/h11,15,17-18,21,26-27,29,31,33-34H,5-10,12-14,16,19-20,22-24H2,1-4H3,(H,44,51)(H,46,54)(H,47,50)(H,48,53)/b15-11-/t27-,29-,31+,33+,34+,42-/m1/s1 | | Synonyms: | P4-P5-6 (NR03-68) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate |
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