 | | A1H7J | | Name: | ~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]pyrrolidine-1-sulfonamide | | Formula: | C12 H18 B N2 O5 S | | SMILES: | O[B]1(O)O[CH](CN[S](=O)(=O)N2CCCC2)c3ccccc13 | | InChi: | InChI=1S/C12H18BN2O5S/c16-13(17)11-6-2-1-5-10(11)12(20-13)9-14-21(18,19)15-7-3-4-8-15/h1-2,5-6,12,14,16-17H,3-4,7-9H2/t12-/m0/s1 | | Definition date: | 2024-04-02 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | ~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]pyrrolidine-1-sulfonamide |
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 | | A1AAB | | Name: | N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea | | Formula: | C19 H17 F3 N8 O2 S | | SMILES: | FC(F)(F)c1cc(cnc1n1nccn1)NC(=O)Nc1cnc2sc(C)nc2c1C(C)OC | | InChi: | InChI=1S/C19H17F3N8O2S/c1-9(32-3)14-13(8-24-17-15(14)27-10(2)33-17)29-18(31)28-11-6-12(19(20,21)22)16(23-7-11)30-25-4-5-26-30/h4-9H,1-3H3,(H2,28,29,31) | | Definition date: | 2023-12-12 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea |
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 | | A1AFH | | Name: | 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide | | Formula: | C17 H19 N3 O4 | | SMILES: | NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OCC | | InChi: | InChI=1S/C17H19N3O4/c1-2-23-14-8-12-10(7-13(14)16(18)22)5-6-19-17(12)24-9-11-3-4-15(21)20-11/h5-8,11H,2-4,9H2,1H3,(H2,18,22)(H,20,21)/t11-/m0/s1 | | Definition date: | 2024-02-23 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide |
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 | | A1AFO | | Name: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide | | Formula: | C16 H17 N3 O4 | | SMILES: | NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OC | | InChi: | InChI=1S/C16H17N3O4/c1-22-13-7-11-9(6-12(13)15(17)21)4-5-18-16(11)23-8-10-2-3-14(20)19-10/h4-7,10H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t10-/m0/s1 | | Definition date: | 2024-02-23 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide |
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 | | 9M5 | | Name: | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide | | Formula: | C27 H33 N5 O2 | | SMILES: | CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)c4c[nH]cn4 | | InChi: | InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m0/s1 | | Definition date: | 2021-11-19 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide |
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 | | 7TN | | Name: | Iguratimod | | Formula: | C17 H14 N2 O6 S | | SMILES: | CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc1ccccc1 | | InChi: | InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20) | | Synonyms: | T 614 | | Definition date: | 2021-08-20 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | N-{7-[(methanesulfonyl)amino]-4-oxo-6-phenoxy-4H-1-benzopyran-3-yl}formamide |
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 | | 25I | | Name: | Fluzoparib | | Formula: | C22 H16 F4 N6 O2 | | SMILES: | Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCn5nc(nc5C4)C(F)(F)F | | InChi: | InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33) | | Synonyms: | SHR3162 | | Definition date: | 2022-12-06 | | Last modified: | 2024-04-26 | | Release date: | 2024-05-01 | | Identifier: | 4-[[4-fluoranyl-3-[[2-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one |
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 | | C6J | | Name: | 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium | | Formula: | C8 H14 N O6 P2 | | SMILES: | O=P(O)(O)C(Cc1cccc[n+]1C)P(=O)(O)O | | InChi: | InChI=1S/C8H13NO6P2/c1-9-5-3-2-4-7(9)6-8(16(10,11)12)17(13,14)15/h2-5,8H,6H2,1H3,(H3-,10,11,12,13,14,15)/p+1 | | Definition date: | 2017-09-14 | | Last modified: | 2024-04-25 | | Release date: | 2017-12-13 | | Identifier: | 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium |
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 | | C6M | | Name: | 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium | | Formula: | C10 H18 N O6 P2 | | SMILES: | O=P(O)(O)C(Cc1cccc[n+]1CCC)P(=O)(O)O | | InChi: | InChI=1S/C10H17NO6P2/c1-2-6-11-7-4-3-5-9(11)8-10(18(12,13)14)19(15,16)17/h3-5,7,10H,2,6,8H2,1H3,(H3-,12,13,14,15,16,17)/p+1 | | Definition date: | 2017-09-14 | | Last modified: | 2024-04-25 | | Release date: | 2017-12-13 | | Identifier: | 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium |
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 | | 4EY | | Name: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium | | Formula: | C12 H15 N O8 P S2 | | SMILES: | O=C(S)c1cc(c[n+](c1)C1OC(COP(=O)(O)O)C(O)C1O)C=S | | InChi: | InChI=1S/C12H14NO8PS2/c14-9-8(4-20-22(17,18)19)21-11(10(9)15)13-2-6(5-23)1-7(3-13)12(16)24/h1-3,5,8-11,14-15H,4H2,(H2-,16,17,18,19,24)/p+1/t8-,9-,10-,11-/m1/s1 | | Synonyms: | Dithiodinicotinic acid mononucleotide | | Definition date: | 2015-03-13 | | Last modified: | 2024-04-25 | | Release date: | 2015-07-15 | | Identifier: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium |
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 | | E9A | | Name: | 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium | | Formula: | C27 H35 N2 O3 | | SMILES: | CC(C)C1CCC(C)CC1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 | | InChi: | InChI=1S/C27H35N2O3/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21/h5-13,19-20,22,25H,14-18H2,1-4H3/q+1/t20-,22+,25+/m0/s1 | | Definition date: | 2017-12-13 | | Last modified: | 2024-04-25 | | Release date: | 2018-12-12 | | Identifier: | 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium |
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 | | 50L | | Name: | (5S)-2-amino-8-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8H)-one | | Formula: | C10 H14 N5 O8 P | | SMILES: | O=P(O)(O)OCC1OC(N2C=CN3C(=O)N=C(N)N=C32)C(O)C1O | | InChi: | InChI=1S/C10H14N5O8P/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)5(16)4(23-7)3-22-24(19,20)21/h1-2,4-7,16-17H,3H2,(H2,11,13,18)(H2,19,20,21)/t4-,5-,6-,7-/m1/s1 | | Definition date: | 2015-07-08 | | Last modified: | 2024-04-25 | | Release date: | 2015-08-12 | | Identifier: | (5S)-2-amino-8-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a][1,3,5]triazin-4(8H)-one |
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 | | EQ1 | | Name: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium | | Formula: | C23 H30 N13 O14 P2 | | SMILES: | NC1=Nc2c(ncn2C2OC(COP(=O)(O)[n+]3ccn(c3N)P(=O)(O)OCC3OC(n4cnc5c4N=C(N)NC5=O)C(O)C3O)C(O)C2O)C(=O)N1 | | InChi: | InChI=1S/C23H29N13O14P2/c24-21-29-15-9(17(41)31-21)27-5-33(15)19-13(39)11(37)7(49-19)3-47-51(43,44)35-1-2-36(23(35)26)52(45,46)48-4-8-12(38)14(40)20(50-8)34-6-28-10-16(34)30-22(25)32-18(10)42/h1-2,5-8,11-14,19-20,26,37-40H,3-4H2,(H8,24,25,29,30,31,32,41,42,43,44,45,46)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Definition date: | 2018-01-25 | | Last modified: | 2024-04-25 | | Release date: | 2018-05-30 | | Identifier: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium (non-preferred name) |
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 | | 8QJ | | Name: | (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium | | Formula: | C9 H16 N3 O3 S | | SMILES: | OSc1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1 | | InChi: | InChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1 | | Definition date: | 2017-03-01 | | Last modified: | 2024-04-25 | | Release date: | 2018-03-07 | | Identifier: | (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium |
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 | | DE4 | | Name: | (4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol | | Formula: | C18 H21 N3 O3 | | SMILES: | [O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccccc2)C1 | | InChi: | InChI=1S/C18H21N3O3/c22-13-15-6-7-16(10-18(15)21(23)24)19-17-8-9-20(12-17)11-14-4-2-1-3-5-14/h1-7,10,17,19,22H,8-9,11-13H2/t17-/m1/s1 | | Definition date: | 2017-10-24 | | Last modified: | 2024-04-25 | | Release date: | 2018-10-03 | | Identifier: | (4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol |
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 | | DF7 | | Name: | [4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol | | Formula: | C20 H22 N4 O3 | | SMILES: | [O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2c[NH]c3ccccc23)C1 | | InChi: | InChI=1S/C20H22N4O3/c25-13-14-5-6-16(9-20(14)24(26)27)22-17-7-8-23(12-17)11-15-10-21-19-4-2-1-3-18(15)19/h1-6,9-10,17,21-22,25H,7-8,11-13H2/t17-/m1/s1 | | Definition date: | 2017-10-25 | | Last modified: | 2024-04-25 | | Release date: | 2018-10-03 | | Identifier: | [4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol |
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 | | DJ4 | | Name: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol | | Formula: | C19 H20 F3 N3 O3 | | SMILES: | [O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccc(cc2)C(F)(F)F)C1 | | InChi: | InChI=1S/C19H20F3N3O3/c20-19(21,22)15-4-1-13(2-5-15)10-24-8-7-17(11-24)23-16-6-3-14(12-26)18(9-16)25(27)28/h1-6,9,17,23,26H,7-8,10-12H2/t17-/m0/s1 | | Definition date: | 2017-10-25 | | Last modified: | 2024-04-25 | | Release date: | 2018-10-03 | | Identifier: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol |
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 | | Z50 | | Name: | 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid | | Formula: | C16 H22 N4 O2 S2 | | SMILES: | Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2 | | InChi: | InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22) | | Synonyms: | 3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid |
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 | | ZQF | | Name: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid | | Formula: | C38 H42 N4 O10 S2 | | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1 | | InChi: | InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48) | | Definition date: | 2023-03-20 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid |
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 | | WRC | | Name: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide | | Formula: | C20 H21 F3 N2 O3 | | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CC(C)(C)C)C(=O)NO | | InChi: | InChI=1S/C20H21F3N2O3/c1-20(2,3)10-16(26)24-18(19(27)25-28)12-6-4-11(5-7-12)13-8-14(21)17(23)15(22)9-13/h4-9,18,28H,10H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide |
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 | | XS0 | | Name: | namodenoson | | Formula: | C18 H18 Cl I N6 O4 | | SMILES: | CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23 | | InChi: | InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | | Synonyms: | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide | | Definition date: | 2023-11-09 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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 | | YRV | | Name: | S-[(3-methylphenyl)methyl]-L-cysteine | | Formula: | C11 H15 N O2 S | | SMILES: | O=C(O)C(N)CSCc1cccc(C)c1 | | InChi: | InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2021-03-29 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | S-[(3-methylphenyl)methyl]-L-cysteine |
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 | | WVQ | | Name: | N-[(5E)-2-amino-5-(formylimino)-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine | | Formula: | C10 H14 N5 O8 P | | SMILES: | O=P(O)(O)OCC1OC(NC2=NC(N)=NC(=O)C/2=NC=O)CC1O | | InChi: | InChI=1S/C10H14N5O8P/c11-10-14-8(7(12-3-16)9(18)15-10)13-6-1-4(17)5(23-6)2-22-24(19,20)21/h3-6,17H,1-2H2,(H2,19,20,21)(H3,11,13,14,15,18)/b12-7+/t4-,5+,6+/m0/s1 | | Definition date: | 2023-10-16 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-[(5E)-2-amino-5-(formylimino)-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
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 | | VI1 | | Name: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid | | Formula: | C20 H27 N O5 S | | SMILES: | O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCCCc2c1C(=O)OC | | InChi: | InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1 | | Definition date: | 2023-09-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid |
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 | | YV6 | | Name: | methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate | | Formula: | C24 H36 N4 O6 S | | SMILES: | O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(=O)CCCS)C(C)C | | InChi: | InChI=1S/C24H36N4O6S/c1-15(2)21(26-20(30)10-6-12-35)22(31)25-19(14-16-7-4-8-17(29)13-16)23(32)28-11-5-9-18(27-28)24(33)34-3/h4,7-8,13,15,18-19,21,27,29,35H,5-6,9-12,14H2,1-3H3,(H,25,31)(H,26,30)/t18-,19-,21-/m0/s1 | | Definition date: | 2023-02-22 | | Last modified: | 2024-04-19 | | Release date: | 2023-08-16 | | Identifier: | methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate |
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