 | | ZAP | | Name: | [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | | Formula: | C16 H18 N3 O5 P | | SMILES: | O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2 | | InChi: | InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1 | | Synonyms: | Z-AMIDINOPHENYLMETHANE-PHOSPHONATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic 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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 | | XT8 | | Name: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C15 H18 N2 O6 S2 | | SMILES: | C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C | | InChi: | InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1 | | Synonyms: | ticarcillin | | Definition date: | 2019-10-15 | | Last modified: | 2021-03-01 | | Release date: | 2019-10-30 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | XTC | | Name: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | | Formula: | C21 H21 N3 O9 | | SMILES: | [O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N | | InChi: | InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1 | | Synonyms: | 9-NITROTETRACYCLINE | | Definition date: | 2012-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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 | | XTG | | Name: | 4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | | Formula: | C17 H23 N O11 S | | SMILES: | [O-][N+](=O)c3ccc(OC2OC(CSC1OCC(O)C(O)C1O)C(O)C(O)C2O)cc3 | | InChi: | InChI=1S/C17H23NO11S/c19-9-5-27-17(15(24)11(9)20)30-6-10-12(21)13(22)14(23)16(29-10)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12-,13+,14-,15-,16-,17-/m1/s1 | | Synonyms: | 4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2005-11-17 | | Last modified: | 2021-03-01 | | Identifier: | 4-nitrophenyl 6-thio-6-S-alpha-D-xylopyranosyl-beta-D-glucopyranoside |
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 | | XCA | | Name: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid | | Formula: | C27 H42 O3 | | SMILES: | O=C(O)C(C)CCCC(C)C4CCC3C1C(C2(C(=CC1)C=C(O)CC2)C)CCC34C | | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,16-18,21-24,28H,5-7,9-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (25S)-cholestenoic acid | | Definition date: | 2011-11-18 | | Last modified: | 2021-03-01 | | Identifier: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid |
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 | | ZU3 | | Name: | N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide | | Formula: | C32 H49 N5 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C | | InChi: | InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1 | | Synonyms: | TG-0204998 | | Definition date: | 2008-10-30 | | Last modified: | 2021-03-01 | | Identifier: | N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl}-L-leucinamide |
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 | | ZU5 | | Name: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide | | Formula: | C34 H52 N4 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3CC3)CC(C)C)C(OC(C)(C)C)C | | InChi: | InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1 | | Synonyms: | TG-0205486 | | Definition date: | 2008-12-10 | | Last modified: | 2021-03-01 | | Identifier: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2R)-5-cyclopropyl-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide |
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 | | YAS | | Name: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate | | Formula: | C25 H42 N7 O17 P3 S | | SMILES: | CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20-,24+/m0/s1 | | Synonyms: | Butyryl-CoA | | Definition date: | 2018-12-06 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-18 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate |
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 | | ZD6 | | Name: | Vandetanib | | Formula: | C22 H24 Br F N4 O2 | | SMILES: | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4 | | InChi: | InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | | Synonyms: | ZD6474 | | Definition date: | 2006-06-16 | | Last modified: | 2021-03-01 | | Identifier: | ~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
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 | | XUG | | Name: | 2'-SE-METHYL-2'-SELENOGUANOSINE 5'-(DIHYDROGEN PHOSPHATE) | | Formula: | C11 H16 N5 O7 P Se | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3[Se]C)COP(=O)(O)O | | InChi: | InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | (D)-2'-METHYLSELENYL-2'-DEOXYGUANOSINE-5'-PHOSPHATE | | Definition date: | 2006-05-18 | | Last modified: | 2021-03-01 | | Identifier: | 2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate) |
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 | | XDM | | Name: | ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | | Formula: | C17 H19 Cl N2 O2 | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc2cccc(Cl)c2 | | InChi: | InChI=1S/C17H19ClN2O2/c1-4-14-15(11(3)21)10(2)20-16(14)17(22)19-9-12-6-5-7-13(18)8-12/h5-8,20H,4,9H2,1-3H3,(H,19,22) | | Synonyms: | XDM1 | | Definition date: | 2016-08-13 | | Last modified: | 2021-03-01 | | Release date: | 2017-08-16 | | Identifier: | ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
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 | | XDN | | Name: | PIPERIDINE-3,4,5-TRIOL | | Formula: | C5 H11 N O3 | | SMILES: | OC1CNCC(O)C1O | | InChi: | InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+ | | Synonyms: | XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN | | Definition date: | 2000-08-16 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4r,5S)-piperidine-3,4,5-triol |
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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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 | | YC2 | | Name: | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid | | Formula: | C19 H24 I N3 O8 | | SMILES: | O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1 | | Synonyms: | (S)-2-(3-((S)-1-carboxy-(4-iodobenzamido)pentyl)ureido)pentanedioic acid | | Definition date: | 2008-06-05 | | Last modified: | 2021-03-01 | | Identifier: | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid |
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 | | I41 | | Name: | 2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID | | Formula: | C18 H22 N4 O5 | | SMILES: | COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CC(O)=O)Cc2ccccc2 | | InChi: | InChI=1S/C18H22N4O5/c1-27-18(26)15(7-14-8-19-12-20-14)21-16(23)10-22(11-17(24)25)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,20)(H,21,23)(H,24,25)/t15-/m0/s1 | | Synonyms: | COMPOUND 41367 | | Definition date: | 2011-02-28 | | Last modified: | 2021-03-01 | | Identifier: | 2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid |
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 | | YCL | | Name: | 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid | | Formula: | C15 H19 Cl N4 O4 | | SMILES: | ClCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O | | InChi: | InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1 | | Synonyms: | o-Cl-amidine | | Definition date: | 2011-08-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid |
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 | | ZEZ | | Name: | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol | | Formula: | C10 H13 N5 O | | SMILES: | n2c1c(ncn1)c(nc2)NC/C=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: | CIS-ZEATIN | | Definition date: | 2008-03-03 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol |
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 | | WZC | | Name: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE | | Formula: | C19 H27 N O5 S | | SMILES: | O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N | | InChi: | InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1 | | Synonyms: | 2-METHOXYESTRADIOL 17-O-SULFAMATE | | Definition date: | 2009-11-23 | | Last modified: | 2021-03-01 | | Identifier: | (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate |
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 | | XX6 | | Name: | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL | | Formula: | C20 H23 N O4 | | SMILES: | OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO | | InChi: | InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1 | | Synonyms: | (R)-DIHYDROXY-PHENANTHRENOLOL | | Definition date: | 2007-06-19 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol |
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 | | I52 | | Name: | N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE | | Formula: | C29 H42 N4 O6 S | | SMILES: | O=C(c1ccc(cc1)CCCCC)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)C(C(=O)NO)C(C)C | | InChi: | InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1 | | Synonyms: | SC-74020 | | Definition date: | 2000-12-19 | | Last modified: | 2021-03-01 | | Identifier: | N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl](2-morpholin-4-ylethyl)sulfamoyl}phenyl)-4-pentylbenzamide |
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 | | ZXY | | Name: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide | | Formula: | C32 H30 N2 O11 | | SMILES: | N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O | | InChi: | InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1 | | Synonyms: | Montbretin A analogue M06-MbA | | Definition date: | 2019-03-25 | | Last modified: | 2021-03-01 | | Release date: | 2020-02-12 | | Identifier: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide |
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 | | ZYA | | Name: | BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE | | Formula: | C21 H23 F N2 O5 | | SMILES: | FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccc(O)cc2)C | | InChi: | InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18-/m0/s1 | | Synonyms: | Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide |
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 | | ZYC | | Name: | ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | | Formula: | C12 H14 O4 | | SMILES: | O=C(OCC)C=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+ | | Synonyms: | ethyl ferulate | | Definition date: | 2010-10-29 | | Last modified: | 2021-03-01 | | Identifier: | ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
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 | | I5I | | Name: | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole | | Formula: | C12 H9 N3 O S | | SMILES: | S=C=Nc3cc1c(oc(c1)C2=NCCN2)cc3 | | InChi: | InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14) | | Synonyms: | 2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran | | Definition date: | 2010-12-21 | | Last modified: | 2021-03-01 | | Identifier: | 2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole |
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