 | | IM7 | | Name: | (5aS,12aS,13aS)-8-chloro-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 H24 Cl N3 O | | SMILES: | N1C63CN2C(C1=O)(CCC2)CC6C(c5c(C3)c4c(ccc(c4)Cl)n5)(C)C | | InChi: | InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1 | | Synonyms: | isomalbrancheamide B | | Definition date: | 2017-07-17 | | Last modified: | 2021-03-01 | | Release date: | 2017-08-16 | | Identifier: | (5aS,12aS,13aS)-8-chloro-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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 | | IMG | | Name: | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL | | Formula: | C11 H15 N5 O4 | | SMILES: | O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N | | InChi: | InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1 | | Synonyms: | IMMUCILLIN-G | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | IMU | | Name: | PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER | | Formula: | C11 H16 N5 O7 P | | SMILES: | O=P(OCC3NC(c2c1N=C(N)NC(=O)c1nc2)C(O)C3O)(O)O | | InChi: | InChI=1S/C11H16N5O7P/c12-11-15-5-3(1-13-7(5)10(19)16-11)6-9(18)8(17)4(14-6)2-23-24(20,21)22/h1,4,6,8-9,13-14,17-18H,2H2,(H2,20,21,22)(H3,12,15,16,19)/t4-,6+,8-,9+/m1/s1 | | Synonyms: | MODIFIED QUANOSINE-5-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3R,4S,5S)-5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl dihydrogen phosphate |
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 | | IN9 | | Name: | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE | | Formula: | C13 H10 F5 N5 O2 S2 | | SMILES: | O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2c(F)c(F)c(F)c(F)c2F | | InChi: | InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1 | | Synonyms: | PNU-142372 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2,3,4,5,6-pentafluoro-N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide |
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 | | INP | | Name: | 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | | Formula: | C31 H43 N5 O6 | | SMILES: | O=C(OCc1ccncc1)NC(C(=O)NC3C(=O)CN(CC(NC(=O)OCc2ccccc2)CC(C)C)C3)CC(C)C | | InChi: | InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27+/m0/s1 | | Synonyms: | PYRROLIDINONE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-{(3R)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxopyrrolidin-3-yl}-N~2~-[(pyridin-4-ylmethoxy)carbonyl]-L-leucinamide |
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 | | INR | | Name: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID | | Formula: | C16 H10 N2 O5 S | | SMILES: | O=S(=O)(O)c1cc2c(cc1)NC(=O)C/2=C4C(=O)c3ccccc3N4 | | InChi: | InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13- | | Synonyms: | INDIRUBIN-5-SULPHONATE | | Definition date: | 2000-10-17 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid |
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 | | IPY | | Name: | IMIDAZOLE-PYRROLE POLYAMIDE | | Formula: | C31 H42 N11 O5 | | SMILES: | O=C(Nc3cc(C(=O)Nc2cc(C(=O)Nc1cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C | | InChi: | InChI=1S/C31H41N11O5/c1-38(2)12-7-9-32-26(43)8-10-34-28(44)23-14-20(17-40(23)4)35-29(45)24-15-21(18-41(24)5)36-30(46)25-16-22(19-42(25)6)37-31(47)27-33-11-13-39(27)3/h11,13-19H,7-10,12H2,1-6H3,(H,32,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)/p+1 | | Synonyms: | IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium |
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 | | IQB | | Name: | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE | | Formula: | C20 H20 Br N3 O2 S | | SMILES: | Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c2cccc3c2ccnc3 | | InChi: | InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | | Synonyms: | H-89 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide |
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 | | 36L | | Name: | (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione | | Formula: | C35 H47 N O8 | | SMILES: | O=C1OC2C(C=CC4OC4(C(O)CC(OC(=O)C=CCC(C1)C2)C(C)C(OC)C(=CC=CC(=Cc3nc(oc3)C)C)C)C)C | | InChi: | InChI=1S/C35H47NO8/c1-21(16-27-20-41-25(5)36-27)10-8-11-23(3)34(40-7)24(4)29-19-30(37)35(6)31(44-35)15-14-22(2)28-17-26(18-33(39)42-28)12-9-13-32(38)43-29/h8-11,13-16,20,22,24,26,28-31,34,37H,12,17-19H2,1-7H3/b10-8+,13-9+,15-14+,21-16+,23-11+/t22-,24+,26-,28-,29+,30+,31-,34+,35-/m1/s1 | | Synonyms: | Rhizoxin | | Definition date: | 2014-06-25 | | Last modified: | 2021-03-01 | | Release date: | 2014-08-27 | | Identifier: | (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione |
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 | | IS3 | | Name: | Isopentenyl Diphosphate Beta-S | | Formula: | C5 H14 O6 P2 S | | SMILES: | O=P(O)(OP(=O)(OCCC(C)C)O)S | | InChi: | InChI=1S/C5H14O6P2S/c1-5(2)3-4-10-12(6,7)11-13(8,9)14/h5H,3-4H2,1-2H3,(H,6,7)(H2,8,9,14) | | Synonyms: | O-(3-methylbutyl) trihydrogen thiodiphosphate | | Definition date: | 2009-10-21 | | Last modified: | 2021-03-01 | | Identifier: | O-(3-methylbutyl) trihydrogen thiodiphosphate |
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 | | ISC | | Name: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid | | Formula: | C10 H10 O6 | | SMILES: | O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1O | | InChi: | InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1 | | Synonyms: | ISOCHORISMIC ACID | | Definition date: | 2003-01-15 | | Last modified: | 2021-03-01 | | Identifier: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid |
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 | | 37U | | Name: | D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide | | Formula: | C21 H24 F N3 O2 | | SMILES: | O=C(NCc1cccc(F)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C21H24FN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1 | | Synonyms: | (2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-((3-fluorophenyl)methyl)pyrrolidine-2-carboxamide | | Definition date: | 2007-11-30 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide |
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 | | 381 | | Name: | (S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid | | Formula: | C10 H22 N O2 P | | SMILES: | O=P(O)(CC1CCCCC1)CCCN | | InChi: | InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13) | | Synonyms: | CGP 46381 | | Definition date: | 2013-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | (S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid |
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 | | 383 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID | | Formula: | C17 H23 N3 O9 | | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C3N(O)C2OCC(O)(C2O)C3O | | InChi: | InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1 | | Synonyms: | SB-219383 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]oct-3-yl](L-tyrosylamino)ethanoic acid |
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 | | ISW | | Name: | {3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron | | Formula: | C34 H34 Fe N4 O4 | | SMILES: | O=C(O)CCC3=C(C4=Cc1n6c(c(c1C=C)C)CC2N5=C(C(=C2C=C)C)C=C7C(=C(C8=CC3=N4[Fe]56N78)CCC(=O)O)C)C | | InChi: | InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | | Synonyms: | Isoporphyrin containing Fe | | Definition date: | 2011-06-02 | | Last modified: | 2021-03-01 | | Release date: | 2013-09-04 | | Identifier: | {3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron |
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 | | ISY | | Name: | 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid | | Formula: | C5 H12 O6 P2 S | | SMILES: | O=P(O)(OP(=O)(O)SCCC(=C)C)O | | InChi: | InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8) | | Synonyms: | Isopentyl S-Thiolodiphosphate | | Definition date: | 2010-11-08 | | Last modified: | 2021-03-01 | | Identifier: | S-(3-methylbut-3-en-1-yl) trihydrogen thiodiphosphate |
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 | | LA2 | | Name: | N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine | | Formula: | C14 H28 N2 O3 S2 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS | | InChi: | InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1 | | Synonyms: | lipoyllysine | | Definition date: | 2008-04-16 | | Last modified: | 2021-03-01 | | Identifier: | N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine |
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 | | LA9 | | Name: | (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid | | Formula: | C21 H33 N2 O6 P | | SMILES: | O=C(NC(C(=O)NC(C)P(=O)(O)CC(C(=O)O)CCc1ccccc1)CC(C)C)C | | InChi: | InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1 | | Synonyms: | Acetyl-Leu-Ala-y(PO2CH2)-homoPhe-OH | | Definition date: | 2014-12-17 | | Last modified: | 2021-03-01 | | Release date: | 2016-01-20 | | Identifier: | (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid |
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 | | LAM | | Name: | 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE | | Formula: | C24 H35 N O17 S | | SMILES: | [O-][N+](=O)c4ccc(OC3OC(CO)C(O)C(OC2OC(CO)C(O)C(SC1OC(C(O)C(O)C1O)CO)C2O)C3O)cc4 | | InChi: | InChI=1S/C24H35NO17S/c26-5-10-13(29)16(32)17(33)24(41-10)43-21-15(31)12(7-28)40-23(19(21)35)42-20-14(30)11(6-27)39-22(18(20)34)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11?,12-,13-,14?,15-,16+,17-,18?,19-,20?,21+,22?,23+,24+/m1/s1 | | Synonyms: | 4'-NITROPHENYL-3I-THIOLAMINARITRIOSIDE | | Definition date: | 2001-06-04 | | Last modified: | 2021-03-01 | | Identifier: | 4-nitrophenyl beta-D-glucopyranosyl-(1->3)-3-thio-beta-D-glucopyranosyl-(1->3)hexopyranoside |
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 | | 39H | | Name: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide | | Formula: | C23 H21 N3 O3 | | SMILES: | O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5 | | InChi: | InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27) | | Synonyms: | D67 | | Definition date: | 2014-07-10 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-23 | | Identifier: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide |
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 | | LAQ | | Name: | 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE | | Formula: | C18 H26 N5 O8 P S2 | | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC(=O)CCCCC4SSCC4 | | InChi: | InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1 | | Synonyms: | LIPOYL-AMP | | Definition date: | 2006-12-27 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(R)-({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine |
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 | | LAS | | Name: | N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine | | Formula: | C15 H24 N2 O7 S | | SMILES: | O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)C(O)C(C)C | | InChi: | InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9?,10+,11+,15-/m1/s1 | | Synonyms: | LACTACYSTIN | | Definition date: | 2008-07-10 | | Last modified: | 2021-03-01 | | Identifier: | N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine |
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 | | 39W | | Name: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide | | Formula: | C37 H45 F N6 O7 S2 | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)N6C(C(=O)N(C)CCCCC=CC2C1)CC(Oc4cc(nc3c(F)c(OC)ccc34)c5nc(cs5)C(C)C)C6)C7(C)CC7 | | InChi: | InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(27)19-23)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23+,27+,37-/m1/s1 | | Synonyms: | IDX320 | | Definition date: | 2014-07-14 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide |
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 | | 3AT | | Name: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE | | Formula: | C10 H16 N5 O12 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3 | | InChi: | InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1 | | Synonyms: | CORDYCEPIN TRIPHOSPHATE | | Definition date: | 2000-06-21 | | Last modified: | 2021-03-01 | | Identifier: | 3'-deoxyadenosine 5'-(tetrahydrogen triphosphate) |
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 | | LC2 | | Name: | N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide | | Formula: | C25 H33 N O7 | | SMILES: | O=C(C(=O)NC2C=C(C=CC(O)CC=C(C=CC(O)CC1OC(=O)C2(C(=O)C1C)C)C)C)C | | InChi: | InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19-,20-,21-,25+/m1/s1 | | Synonyms: | Lankacidin C | | Definition date: | 2009-09-09 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide |
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