| O8M | Name: | 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide | Formula: | C14 H21 N7 O4 | SMILES: | O=C(N)CN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | InChi: | InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1 | Synonyms: | 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | Definition date: | 2008-07-31 | Last modified: | 2020-06-17 | Identifier: | 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide |
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| 4XW | Name: | (5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid | Formula: | C20 H36 O2 | SMILES: | C1(C=CCC(C1CCC(CCCC(C)CC(=O)O)C)C)(C)C | InChi: | InChI=1S/C20H36O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h7,13,15-18H,6,8-12,14H2,1-5H3,(H,21,22)/t15-,16-,17+,18+/m1/s1 | Synonyms: | 9-cis-13,14-dihydroretinoic acid | Definition date: | 2015-06-18 | Last modified: | 2020-06-17 | Release date: | 2016-03-30 | Identifier: | (5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid |
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| OAQ | Name: | {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | Formula: | C14 H21 N3 O3 | SMILES: | [O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC(C)C)CO | InChi: | InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m0/s1 | Synonyms: | Oxamniquine | Definition date: | 2013-09-24 | Last modified: | 2020-06-17 | Release date: | 2013-12-18 | Identifier: | {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol |
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| 4YP | Name: | 2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione | Formula: | C18 H25 N O3 | SMILES: | CC(=[C@H]CCC(=[C@H]CC=1C(C(=C(C(C=1C)=O)N)OC)=O)C)C | InChi: | InChI=1S/C18H25NO3/c1-11(2)7-6-8-12(3)9-10-14-13(4)16(20)15(19)18(22-5)17(14)21/h7,9H,6,8,10,19H2,1-5H3/b12-9+ | Synonyms: | rhodoquinone-2 | Definition date: | 2015-06-26 | Last modified: | 2020-06-17 | Release date: | 2015-08-05 | Identifier: | 2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione |
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| 4Z5 | Name: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea | Formula: | C23 H29 F N6 O | SMILES: | O=C(Nc1cc(c(cc1F)C)c2c(nc3c(c2)cnc(n3)NC)C)NCCC(C)(C)C | InChi: | InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30) | Synonyms: | LY3009120 | Definition date: | 2015-06-29 | Last modified: | 2020-06-17 | Release date: | 2015-07-15 | Identifier: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea |
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| OCB | Name: | OCTANOYLCARNITINE | Formula: | C15 H30 N O4 | SMILES: | O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C | InChi: | InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1 | Synonyms: | 3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM | Definition date: | 2004-10-12 | Last modified: | 2020-06-17 | Identifier: | (2R)-3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium |
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| OCR | Name: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid | Formula: | C20 H30 O3 | SMILES: | O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC | InChi: | InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+ | Synonyms: | 15-oxo-eicosatetraenoic acid | Definition date: | 2008-03-17 | Last modified: | 2020-06-17 | Identifier: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid |
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| OCV | Name: | N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE | Formula: | C14 H24 N2 O7 S | SMILES: | O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS | InChi: | InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1 | Synonyms: | L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER | Definition date: | 2001-04-12 | Last modified: | 2020-06-17 | Identifier: | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
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| OCX | Name: | (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid | Formula: | C20 H30 O3 | SMILES: | O=C(C=CC=CC/C=C/CCCCC)C/C=C/CCCC(=O)O | InChi: | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13? | Synonyms: | 8-oxo-eicosatetraenoic acid | Definition date: | 2008-03-17 | Last modified: | 2020-06-17 | Identifier: | (5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid |
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| ODD | Name: | (10E,12Z)-OCTADECA-10,12-DIENOIC ACID | Formula: | C18 H32 O2 | SMILES: | O=C(O)CCCCCCCCC=CC=C/CCCCC | InChi: | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+ | Synonyms: | 10-TRANS-12-CIS-OCTADECADIENOIC ACID | Definition date: | 2005-10-24 | Last modified: | 2020-06-17 | Identifier: | (10E,12Z)-octadeca-10,12-dienoic acid |
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| ODK | Name: | 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid | Formula: | C9 H7 N3 O2 | SMILES: | O=C(O)c1cc(nn1)c2ncccc2 | InChi: | InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14) | Synonyms: | 5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid | Definition date: | 2010-08-12 | Last modified: | 2020-06-17 | Identifier: | 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid |
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| 515 | Name: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC
ACID | Formula: | C40 H37 N3 O10 | SMILES: | O=C(O)c1ccccc1N(C(=O)C(=O)O)c3c2c(cccc2)c(cc3)CC(NC(=O)C)C(=O)NCCCCCOc5c(cc4c(cccc4)c5)C(=O)O | InChi: | InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1 | Synonyms: | COMPOUND 23 | Definition date: | 2003-01-30 | Last modified: | 2020-06-17 | Identifier: | 3-[(5-{[(2S)-2-(acetylamino)-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]naphthalen-1-yl}propanoyl]amino}pentyl)oxy]naphthalene-2-carboxylic acid (non-preferred name) |
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| ODT | Name: | (11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID | Formula: | C18 H30 O2 | SMILES: | O=C(O)CCCCCCCCCC=CC=CC=C/CC | InChi: | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+ | Synonyms: | 11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID | Definition date: | 2005-10-24 | Last modified: | 2020-06-17 | Identifier: | (11E,13E,15Z)-octadeca-11,13,15-trienoic acid |
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| 51G | Name: | gentamicin C1 | Formula: | C21 H43 N5 O7 | SMILES: | OC1C(NC)C(C)(O)COC1OC2C(CC(N)C(C2O)OC3OC(CCC3N)C(NC)C)N | InChi: | InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 | Synonyms: | (1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydrox
ycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | Definition date: | 2015-07-09 | Last modified: | 2020-06-17 | Release date: | 2016-03-16 | Identifier: | (1S,2S,3R,4S,6R)-4,6-diamino-3-({(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside |
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| 51Q | Name: | (2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid | Formula: | C6 H7 N3 O4 S | SMILES: | OC(=O)C(SC=1C(=O)NC(O)=NN=1)C | InChi: | InChI=1S/C6H7N3O4S/c1-2(5(11)12)14-4-3(10)7-6(13)9-8-4/h2H,1H3,(H,11,12)(H2,7,9,10,13)/t2-/m0/s1 | Synonyms: | TyC5-03 | Definition date: | 2015-07-13 | Last modified: | 2020-06-17 | Release date: | 2016-10-19 | Identifier: | (2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid |
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| 524 | Name: | (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH
EXYL)BUTANAMIDE | Formula: | C22 H31 F N6 O2 | SMILES: | FC4CCN(C(=O)C(N)C(C(=O)N(C)C)C3CCC(c1cccc2ncnn12)CC3)C4 | InChi: | InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1 | Synonyms: | 5-(4-{(1S,2S)-2-AMMONIO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIA
ZOLO[1,5-A]PYRIDIN-1-IUM | Definition date: | 2007-09-05 | Last modified: | 2020-06-17 | Identifier: | (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcyclohexyl)butanamide |
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| 52I | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2
-en-1-one | Formula: | C28 H32 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4CC(C)C | InChi: | InChI=1S/C28H32N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-10,12,14-17,23H,11,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m1/s1 | Synonyms: | (R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isobutylphthalazin-2(1H)-yl)prop-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2020-06-17 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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| 52L | Name: | DAHP Oxime | Formula: | C7 H14 N O10 P | SMILES: | N(/O)=C(C(O)=O)CC(C(O)C(COP(O)(O)=O)O)O | InChi: | InChI=1S/C7H14NO10P/c9-4(1-3(8-14)7(12)13)6(11)5(10)2-18-19(15,16)17/h4-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/b8-3+/t4-,5-,6+/m1/s1 | Synonyms: | (2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid | Definition date: | 2015-07-16 | Last modified: | 2020-06-17 | Release date: | 2016-08-10 | Identifier: | (2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid |
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| 52U | Name: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl
[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | Formula: | C29 H40 N2 O8 S | SMILES: | c4cc(S(N(CC(O)C(NC(OC2C1C(OCC1)OCC2)=O)Cc3ccccc3)CC(C)C)(=O)=O)ccc4OC | InChi: | InChI=1S/C29H40N2O8S/c1-20(2)18-31(40(34,35)23-11-9-22(36-3)10-12-23)19-26(32)25(17-21-7-5-4-6-8-21)30-29(33)39-27-14-16-38-28-24(27)13-15-37-28/h4-12,20,24-28,32H,13-19H2,1-3H3,(H,30,33)/t24-,25-,26+,27-,28+/m0/s1 | Synonyms: | GRL-0476 | Definition date: | 2015-07-20 | Last modified: | 2020-06-17 | Release date: | 2016-01-13 | Identifier: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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| 52Z | Name: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl
[(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | Formula: | C30 H42 N2 O10 S | SMILES: | c1cc(ccc1S(=O)(N(CC(C(Cc2ccc(cc2)OC)NC(OC3C4C(O)COC4OCC3)=O)O)CC(C)C)=O)OC | InChi: | InChI=1S/C30H42N2O10S/c1-19(2)16-32(43(36,37)23-11-9-22(39-4)10-12-23)17-25(33)24(15-20-5-7-21(38-3)8-6-20)31-30(35)42-27-13-14-40-29-28(27)26(34)18-41-29/h5-12,19,24-29,33-34H,13-18H2,1-4H3,(H,31,35)/t24-,25+,26-,27-,28-,29-/m0/s1 | Synonyms: | GRL-085 | Definition date: | 2015-07-20 | Last modified: | 2020-06-17 | Release date: | 2016-01-13 | Identifier: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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| 532 | Name: | (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one | Formula: | C19 H16 N4 O S | SMILES: | O=C4N(C(=NC4(c1ccsc1)c3cccc(c2cccnc2)c3)N)C | InChi: | InChI=1S/C19H16N4OS/c1-23-17(24)19(22-18(23)20,16-7-9-25-12-16)15-6-2-4-13(10-15)14-5-3-8-21-11-14/h2-12H,1H3,(H2,20,22)/t19-/m0/s1 | Synonyms: | WAY-253284 | Definition date: | 2011-06-03 | Last modified: | 2020-06-17 | Identifier: | (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one |
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| 53I | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y
l]prop-2-en-1-one | Formula: | C28 H30 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C=C(/C)C | InChi: | InChI=1S/C28H30N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-12,14-16,23H,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m1/s1 | Synonyms: | (R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl)pr
op-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2020-06-17 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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| 53J | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y
l]prop-2-en-1-one | Formula: | C28 H30 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C=C(/C)C | InChi: | InChI=1S/C28H30N6O3/c1-17(2)11-23-22-8-6-5-7-20(22)16-32-34(23)25(35)10-9-19-12-18(14-24(36-3)26(19)37-4)13-21-15-31-28(30)33-27(21)29/h5-12,14-16,23H,13H2,1-4H3,(H4,29,30,31,33)/b10-9+/t23-/m0/s1 | Synonyms: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl)pr
op-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2020-06-17 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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| OGK | Name: | (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid | Formula: | C18 H27 N O4 | SMILES: | O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC23 | InChi: | InChI=1S/C18H27NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h10-14H,3-9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,14+,18+/m1/s1 | Synonyms: | Coronatine | Definition date: | 2010-09-07 | Last modified: | 2020-06-17 | Identifier: | (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid |
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| OGN | Name: | [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate | Formula: | C15 H19 N3 O7 | SMILES: | O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2 | InChi: | InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1 | Synonyms: | Gal-PUGNAc | Definition date: | 2011-09-22 | Last modified: | 2020-06-17 | Identifier: | N-[(2Z,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) |
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