 | | 2EL | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-
ol | | Formula: | C16 H25 N5 O3 S | | SMILES: | OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1 | | Synonyms: | DIETGLYCOL-THIO-DADME-IMMUCILLIN-A | | Definition date: | 2012-05-09 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-01 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol |
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 | | 2FA | | Name: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C10 H12 F N5 O4 | | SMILES: | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | 2-FLUOROADENOSINE | | Definition date: | 2003-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 2-fluoroadenosine |
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 | | 2FD | | Name: | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL | | Formula: | C10 H12 F N5 O3 | | SMILES: | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N | | InChi: | InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1 | | Synonyms: | 2-FLUORO-2'-DEOXYADENOSINE | | Definition date: | 2003-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-2-fluoroadenosine |
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 | | 2FE | | Name: | 2'-fluoro-2'-deoxy-1,N6-ethenoadenine | | Formula: | C12 H13 F N5 O6 P | | SMILES: | O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)C(F)C4O | | InChi: | InChI=1S/C12H13FN5O6P/c13-7-9(19)6(3-23-25(20,21)22)24-12(7)18-5-15-8-10-14-1-2-17(10)4-16-11(8)18/h1-2,4-7,9,12,19H,3H2,(H2,20,21,22)/t6-,7+,9-,12-/m1/s1 | | Synonyms: | 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine | | Definition date: | 2008-04-28 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine |
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 | | 2FI | | Name: | 2'-fluoro-2'-deoxyinosine | | Formula: | C10 H12 F N4 O7 P | | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O | | InChi: | InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1 | | Synonyms: | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one | | Definition date: | 2008-04-28 | | Last modified: | 2020-06-17 | | Identifier: | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one |
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 | | 2FM | | Name: | S-(DIFLUOROMETHYL)HOMOCYSTEINE | | Formula: | C5 H9 F2 N O2 S | | SMILES: | FC(F)SCCC(C(=O)O)N | | InChi: | InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1 | | Synonyms: | DIFLUOROMETHIONINE | | Definition date: | 2003-05-28 | | Last modified: | 2020-06-17 | | Identifier: | difluoro-L-methionine |
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 | | EZL | | Name: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide | | Formula: | C9 H10 N2 O3 S2 | | SMILES: | O=S(=O)(c1nc2ccc(OCC)cc2s1)N | | InChi: | InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) | | Synonyms: | Ethoxzolamide | | Definition date: | 2008-02-21 | | Last modified: | 2020-06-17 | | Identifier: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide |
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 | | 2G6 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic
acid | | Formula: | C21 H36 N3 O5 P | | SMILES: | O=C(NCCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t18-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide |
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 | | F01 | | Name: | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one | | Formula: | C9 H12 F N3 O5 | | SMILES: | FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 | | Synonyms: | 4-amino-5-fluoro-1-((2R,3S,4R,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidin-2(1H)-one | | Definition date: | 2008-09-29 | | Last modified: | 2020-06-17 | | Identifier: | 5-fluorocytidine |
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 | | 2G8 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid | | Formula: | C18 H30 N3 O5 P | | SMILES: | O=C(NCCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/t16-/m0/s1 | | Synonyms: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide |
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 | | 2G9 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic
acid | | Formula: | C20 H34 N3 O5 P | | SMILES: | O=C(NCC(C)CC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide |
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 | | F0G | | Name: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine | | Formula: | C11 H15 N2 O7 P | | SMILES: | n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C | | InChi: | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1 | | Synonyms: | PLP-Ala | | Definition date: | 2018-02-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine |
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 | | 2GZ | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid | | Formula: | C20 H34 N3 O5 P | | SMILES: | O=C(NCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide | | Definition date: | 2013-10-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide |
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 | | 2H3 | | Name: | (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6- | | Synonyms: | scyllo-inositol | | Definition date: | 2013-10-18 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol |
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 | | 2HB | | Name: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide | | Formula: | C21 H23 N5 O3 S | | SMILES: | O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5 | | InChi: | InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | | Synonyms: | G146034 | | Definition date: | 2014-03-28 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide |
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 | | 2HC | | Name: | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | | Formula: | C9 H8 O3 | | SMILES: | O=C(O)/C=C/c1ccccc1O | | InChi: | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ | | Synonyms: | TRANS-2-HYDROXYCINNAMIC ACID | | Definition date: | 2003-12-22 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
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 | | 2HN | | Name: | (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid | | Formula: | C14 H11 F5 O6 | | SMILES: | O=C1C(C(O)(C(=O)O)CC(O)C1O)Cc2c(F)c(F)c(F)c(F)c2F | | InChi: | InChI=1S/C14H11F5O6/c15-6-3(7(16)9(18)10(19)8(6)17)1-4-11(21)12(22)5(20)2-14(4,25)13(23)24/h4-5,12,20,22,25H,1-2H2,(H,23,24)/t4-,5-,12+,14-/m1/s1 | | Synonyms: | (1R,2S,4S,5R)-2-(perfluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid | | Definition date: | 2012-08-14 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (1R,2S,4S,5R)-1,4,5-trihydroxy-3-oxo-2-(pentafluorobenzyl)cyclohexanecarboxylic acid |
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 | | F1J | | Name: | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide | | Formula: | C14 H20 F N3 O S | | SMILES: | Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCS | | InChi: | InChI=1S/C14H20FN3OS/c15-12-3-1-11(2-4-12)9-18-7-5-16-13(10-18)14(19)17-6-8-20/h1-4,13,16,20H,5-10H2,(H,17,19)/t13-/m0/s1 | | Synonyms: | 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(2-mercapto-ethyl)-amide | | Definition date: | 2008-03-19 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide |
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 | | F1L | | Name: | N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | | Formula: | C18 H27 Br N2 O3 S | | SMILES: | Brc1cc(c(OC)c(OC)c1)CN2CCC(NC(=O)CCCS)CC2 | | InChi: | InChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22) | | Synonyms: | N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide | | Definition date: | 2008-03-20 | | Last modified: | 2020-06-17 | | Identifier: | N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide |
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 | | F1M | | Name: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide | | Formula: | C24 H32 Cl N3 O6 S | | SMILES: | O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)cc3 | | InChi: | InChI=1S/C24H32ClN3O6S/c1-16(2)34-24-17(12-18(25)13-22(24)32-3)14-28-10-8-19(9-11-28)27-23(29)15-33-20-4-6-21(7-5-20)35(26,30)31/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,27,29)(H2,26,30,31) | | Synonyms: | N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide | | Definition date: | 2008-03-11 | | Last modified: | 2020-06-17 | | Identifier: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide |
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 | | F1N | | Name: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide | | Formula: | C25 H34 Cl N3 O6 S | | SMILES: | O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)c(c3)C | | InChi: | InChI=1S/C25H34ClN3O6S/c1-16(2)35-25-18(12-19(26)13-23(25)33-4)14-29-9-7-20(8-10-29)28-24(30)15-34-22-6-5-21(11-17(22)3)36(27,31)32/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,28,30)(H2,27,31,32) | | Synonyms: | N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide | | Definition date: | 2008-03-23 | | Last modified: | 2020-06-17 | | Identifier: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide |
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 | | F2M | | Name: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine | | Formula: | C9 H13 N O | | SMILES: | CC=CN(C)Cc1occc1 | | InChi: | InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+ | | Synonyms: | F2MPA | | Definition date: | 2017-01-03 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-11 | | Identifier: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine |
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 | | F3H | | Name: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol | | Formula: | C11 H16 F N2 O8 P | | SMILES: | O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O | | InChi: | InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8+,9-/m1/s1 | | Synonyms: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(thymin-1-yl)-D-altritol-5-dihydrogenphosphate | | Definition date: | 2011-01-04 | | Last modified: | 2020-06-17 | | Identifier: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol |
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 | | 2K2 | | Name: | PKC412 | | Formula: | C35 H30 N4 O4 | | SMILES: | O=C(c1ccccc1)N(C9C(OC)C8(OC(n6c5c3n8c2ccccc2c3c4c(C(=O)NC4)c5c7ccccc67)C9)C)C | | InChi: | InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | | Synonyms: | N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonon
a[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide | | Definition date: | 2013-11-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-01 | | Identifier: | N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide |
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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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