 | IXA | Name: | N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide | Formula: | C24 H28 N6 O4 | SMILES: | O=C(NCCCC/N=C(N)N)C(NC(=O)c2ccc1c(C(O)=CC(=O)N1)c2)Cc3ccccc3 | InChi: | InChI=1S/C24H28N6O4/c25-24(26)28-11-5-4-10-27-23(34)19(12-15-6-2-1-3-7-15)30-22(33)16-8-9-18-17(13-16)20(31)14-21(32)29-18/h1-3,6-9,13-14,19H,4-5,10-12H2,(H,27,34)(H,30,33)(H4,25,26,28)(H2,29,31,32)/t19-/m0/s1 | Definition date: | 2014-11-24 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide |
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 | J1J | Name: | N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide | Formula: | C25 H30 N6 O4 | SMILES: | O=C(NCCCCC/N=C(N)N)C(NC(=O)c2ccc1c(C(O)=CC(=O)N1)c2)Cc3ccccc3 | InChi: | InChI=1S/C25H30N6O4/c26-25(27)29-12-6-2-5-11-28-24(35)20(13-16-7-3-1-4-8-16)31-23(34)17-9-10-19-18(14-17)21(32)15-22(33)30-19/h1,3-4,7-10,14-15,20H,2,5-6,11-13H2,(H,28,35)(H,31,34)(H4,26,27,29)(H2,30,32,33)/t20-/m0/s1 | Definition date: | 2014-11-20 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide |
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 | YW2 | Name: | (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol | Formula: | C34 H44 O3 | SMILES: | C5(C#CC#CC(O)C13CC2CC(C1)CC(C2)C3)C4(CCCC(C4CC5)=[C@H][C@H]=C6CC(O)/C(C(C6)O)=C)C | InChi: | InChI=1S/C34H44O3/c1-22-30(35)17-23(18-31(22)36)9-10-27-6-5-13-33(2)28(11-12-29(27)33)7-3-4-8-32(37)34-19-24-14-25(20-34)16-26(15-24)21-34/h9-10,24-26,28-32,35-37H,1,5-6,11-21H2,2H3/b27-10+/t24-,25+,26-,28-,29-,30+,31+,32+,33+,34-/m0/s1 | Definition date: | 2015-04-02 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
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 | E6U | Name: | N-[(1S)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide | Formula: | C23 H26 N6 O4 | SMILES: | O=C(NCCCNC(=[N@H])N)C(NC(=O)c2ccc1c(C(O)=CC(=O)N1)c2)Cc3ccccc3 | InChi: | InChI=1S/C23H26N6O4/c24-23(25)27-10-4-9-26-22(33)18(11-14-5-2-1-3-6-14)29-21(32)15-7-8-17-16(12-15)19(30)13-20(31)28-17/h1-3,5-8,12-13,18H,4,9-11H2,(H,26,33)(H,29,32)(H4,24,25,27)(H2,28,30,31)/t18-/m0/s1 | Definition date: | 2014-11-24 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | N-{(2S)-1-[(3-carbamimidamidopropyl)amino]-1-oxo-3-phenylpropan-2-yl}-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide |
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 | IBQ | Name: | IODO-BEDAQUILINE | Formula: | C32 H31 I N2 O2 | SMILES: | Ic1ccc2nc(OC)c(cc2c1)C(c3ccccc3)C(O)(c5c4ccccc4ccc5)CCN(C)C | InChi: | InChI=1S/C32H31IN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1 | Definition date: | 2014-09-26 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | (1R,2S)-4-(dimethylamino)-1-(6-iodo-2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol |
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 | N5J | Name: | 3H-pyrido[3,4-d]pyrimidin-4-one | Formula: | C7 H5 N3 O | SMILES: | O=C1NC=Nc2cnccc12 | InChi: | InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11) | Definition date: | 2015-11-30 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 3H-pyrido[3,4-d]pyrimidin-4-one |
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 | 3RT | Name: | N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine | Formula: | C24 H29 N7 O2 | SMILES: | n6c(NC1CCOCC1)c5ccc(Nc2nc3cccc(n3n2)CC4CCOCC4)cc5n6 | InChi: | InChI=1S/C24H29N7O2/c1-2-19(14-16-6-10-32-11-7-16)31-22(3-1)27-24(30-31)26-18-4-5-20-21(15-18)28-29-23(20)25-17-8-12-33-13-9-17/h1-5,15-17H,6-14H2,(H,26,30)(H2,25,28,29) | Definition date: | 2014-10-15 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine |
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 | 3Y8 | Name: | 3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid | Formula: | C45 H60 N4 O16 | SMILES: | CC1=C2N[C](C)([CH]3N[CH](CC4=N[C](C)(CC5=N[CH]1[C](C)(CC(O)=O)[CH]5CCC(O)=O)C(=C4CCC(O)=O)CC(O)=O)[C](C)(C=CC(O)=O)[CH]3CC(O)=O)[C](C)(CC(O)=O)[CH]2CCC(O)=O | InChi: | InChI=1S/C45H60N4O16/c1-21-38-24(9-12-32(54)55)43(4,20-37(64)65)45(6,49-38)40-26(16-35(60)61)41(2,14-13-33(56)57)29(47-40)17-27-22(7-10-30(50)51)25(15-34(58)59)44(5,48-27)18-28-23(8-11-31(52)53)42(3,19-36(62)63)39(21)46-28/h13-14,23-24,26,29,39-40,47,49H,7-12,15-20H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b14-13+,38-21-/t23-,24-,26+,29+,39-,40-,41-,42+,43+,44+,45+/m1/s1 | Definition date: | 2014-12-10 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid |
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 | 41E | Name: | 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide | Formula: | C22 H26 N2 O4 S | SMILES: | O=C(c3sc(C(=O)N2CCC(CCC(=O)Nc1cccc(OC)c1)CC2)cc3)C | InChi: | InChI=1S/C22H26N2O4S/c1-15(25)19-7-8-20(29-19)22(27)24-12-10-16(11-13-24)6-9-21(26)23-17-4-3-5-18(14-17)28-2/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,23,26) | Definition date: | 2015-01-09 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide |
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 | 41F | Name: | N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide | Formula: | C17 H17 N5 O S | SMILES: | O=C(N2CCN(c1ccccc1)CC2)Nc3cc4nnsc4cc3 | InChi: | InChI=1S/C17H17N5OS/c23-17(18-13-6-7-16-15(12-13)19-20-24-16)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,18,23) | Definition date: | 2015-01-09 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide |
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 | 41N | Name: | 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone | Formula: | C20 H20 N2 O4 | SMILES: | O=C(c1ccc(cc1)N4CCN(C(=O)c2ccc3OCOc3c2)CC4)C | InChi: | InChI=1S/C20H20N2O4/c1-14(23)15-2-5-17(6-3-15)21-8-10-22(11-9-21)20(24)16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3 | Definition date: | 2015-01-13 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone |
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 | 41O | Name: | 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one | Formula: | C20 H17 Cl N2 O2 | SMILES: | O=C(c1cccc(Cl)c1)N4CCN(c3cc2C=CC(=O)c2cc3)CC4 | InChi: | InChI=1S/C20H17ClN2O2/c21-16-3-1-2-15(12-16)20(25)23-10-8-22(9-11-23)17-5-6-18-14(13-17)4-7-19(18)24/h1-7,12-13H,8-11H2 | Definition date: | 2015-01-13 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one |
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 | QAY | Name: | 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one | Formula: | C12 H12 N6 O | SMILES: | NCCc1cnn(c1)c2nccc3C(=O)NC=Nc23 | InChi: | InChI=1S/C12H12N6O/c13-3-1-8-5-17-18(6-8)11-10-9(2-4-14-11)12(19)16-7-15-10/h2,4-7H,1,3,13H2,(H,15,16,19) | Definition date: | 2015-12-03 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one |
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 | PZ5 | Name: | 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine | Formula: | C26 H26 N3 | SMILES: | Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1 | InChi: | InChI=1S/C26H25N3/c1-2-3-4-5-9-16-29-25-18-21(28)13-15-23(25)22-14-12-20(27)17-24(22)26(29)19-10-7-6-8-11-19/h1,6-8,10-15,17-18,28H,3-5,9,16,27H2/p+1 | Definition date: | 2015-10-29 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine |
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 | 5CX | Name: | 2'-(propan-2-yl)biphenyl-4-sulfonamide | Formula: | C15 H17 N O2 S | SMILES: | S(=O)(N)(=O)c1ccc(cc1)c2ccccc2C(C)C | InChi: | InChI=1S/C15H17NO2S/c1-11(2)14-5-3-4-6-15(14)12-7-9-13(10-8-12)19(16,17)18/h3-11H,1-2H3,(H2,16,17,18) | Definition date: | 2015-09-07 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 2'-(propan-2-yl)biphenyl-4-sulfonamide |
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 | 5CZ | Name: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide | Formula: | C22 H19 N5 O | SMILES: | c1(ccc(cc1)Oc2ccc(cc2)C(=[N@H])N)c3cc4c(n3)cc(cc4)/C(N)=N | InChi: | InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26) | Definition date: | 2015-09-07 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide |
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 | 5D0 | Name: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine | Formula: | C25 H32 N4 O2 | SMILES: | C(Oc2ccc(C=1NCCCN=1)cc2)CCCCOc3ccc(cc3)C4=NCCCN4 | InChi: | InChI=1S/C25H32N4O2/c1(2-18-30-22-10-6-20(7-11-22)24-26-14-4-15-27-24)3-19-31-23-12-8-21(9-13-23)25-28-16-5-17-29-25/h6-13H,1-5,14-19H2,(H,26,27)(H,28,29) | Definition date: | 2015-09-07 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine |
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 | 5F9 | Name: | Arachinoyl-CoA | Formula: | C41 H74 N7 O17 P3 S | SMILES: | OP(O)(OC1C(OC(C1O)n2c3c(nc2)c(N)ncn3)COP(OP(OCC(C)(C)C(C(NCCC(NCCSC(CCCCCCCCCCCCCCCCCCC)=O)=O)=O)O)(=O)O)(O)=O)=O | InChi: | InChI=1S/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34-,35-,36-,40-/m1/s1 | Definition date: | 2015-09-18 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | S-{(3R,5S,9S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} icosanethioate (non-preferred name) |
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 | 5FF | Name: | (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C24 H25 F3 N4 O2 | SMILES: | C2(c1ccc(CC)cc1)Nc3c(cnn3C(C2)C(F)(F)F)C(=O)NCc4ccc(OC)cc4 | InChi: | InChI=1S/C24H25F3N4O2/c1-3-15-4-8-17(9-5-15)20-12-21(24(25,26)27)31-22(30-20)19(14-29-31)23(32)28-13-16-6-10-18(33-2)11-7-16/h4-11,14,20-21,30H,3,12-13H2,1-2H3,(H,28,32)/t20-,21+/m1/s1 | Definition date: | 2015-09-18 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | 5FK | Name: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C22 H21 F4 N5 O | SMILES: | C1(CC(C(F)(F)F)n2c(N1)c(cn2)C(=O)NCc3ncc(cc3)F)c4ccc(cc4)CC | InChi: | InChI=1S/C22H21F4N5O/c1-2-13-3-5-14(6-4-13)18-9-19(22(24,25)26)31-20(30-18)17(12-29-31)21(32)28-11-16-8-7-15(23)10-27-16/h3-8,10,12,18-19,30H,2,9,11H2,1H3,(H,28,32)/t18-,19+/m1/s1 | Definition date: | 2015-09-20 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | 5GR | Name: | N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide | Formula: | C28 H27 N7 O2 S2 | SMILES: | C(C(=O)Nc1ncc(s1)Cc2cc(ccc2)OCc3nnn(c3)Cc4ccccc4)Sc5nc(C)cc(C)n5 | InChi: | InChI=1S/C28H27N7O2S2/c1-19-11-20(2)31-28(30-19)38-18-26(36)32-27-29-14-25(39-27)13-22-9-6-10-24(12-22)37-17-23-16-35(34-33-23)15-21-7-4-3-5-8-21/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,29,32,36) | Definition date: | 2015-09-24 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide |
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 | 531 | Name: | 1-[(3S)-1-benzylpiperidin-3-yl]ethanone | Formula: | C14 H19 N O | SMILES: | C(c1ccccc1)N2CC(C(=O)C)CCC2 | InChi: | InChI=1S/C14H19NO/c1-12(16)14-8-5-9-15(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m0/s1 | Definition date: | 2015-07-21 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 1-[(3S)-1-benzylpiperidin-3-yl]ethanone |
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 | 536 | Name: | 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide | Formula: | C13 H16 N2 O | SMILES: | C(N1C=C(CCC1)C(=O)N)c2ccccc2 | InChi: | InChI=1S/C13H16N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H2,14,16) | Definition date: | 2015-07-21 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide |
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 | 56M | Name: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide | Formula: | C19 H25 N3 O5 S | SMILES: | c1(c(ccc(c1)S(N(CC)CC)(=O)=O)O)NC(c2c(c(C(C)=O)c(n2)C)C)=O | InChi: | InChI=1S/C19H25N3O5S/c1-6-22(7-2)28(26,27)14-8-9-16(24)15(10-14)21-19(25)18-11(3)17(13(5)23)12(4)20-18/h8-10,20,24H,6-7H2,1-5H3,(H,21,25) | Definition date: | 2015-08-05 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide |
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 | 56W | Name: | (2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid | Formula: | C14 H25 N2 O9 P | SMILES: | C(CCC(C(=O)O)CP(CCC(C(=O)O)NC(=O)C)(=O)O)C(C(=O)O)N | InChi: | InChI=1S/C14H25N2O9P/c1-8(17)16-11(14(22)23)5-6-26(24,25)7-9(12(18)19)3-2-4-10(15)13(20)21/h9-11H,2-7,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)/t9-,10+,11+/m0/s1 | Definition date: | 2015-08-06 | Last modified: | 2016-01-15 | Release date: | 2016-01-20 | Identifier: | (2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid |
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