| M1V | Name: | mesobiliverdin IX(alpha) | Formula: | C33 H38 N4 O6 | SMILES: | CCC1=C(C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O | InChi: | InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15- | Definition date: | 2013-07-31 | Last modified: | 2014-06-13 | Release date: | 2014-06-18 | Identifier: | 3-[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(Z)-[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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| 2QQ | Name: | N~2~-{[(1S)-1-carboxybut-3-yn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | Formula: | C19 H22 I N3 O6 | SMILES: | O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CC#C | InChi: | InChI=1S/C19H22IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1 | Definition date: | 2014-01-09 | Last modified: | 2014-05-16 | Release date: | 2014-05-21 | Identifier: | N~2~-{[(1S)-1-carboxybut-3-yn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine |
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| 2RS | Name: | 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile | Formula: | C26 H31 N7 O2 | SMILES: | N#Cc1ccc(cc1)Nc2nc(nc(n2)Nc3c(cc(cc3C)C)C)OCCCN4CCOCC4 | InChi: | InChI=1S/C26H31N7O2/c1-18-15-19(2)23(20(3)16-18)29-25-30-24(28-22-7-5-21(17-27)6-8-22)31-26(32-25)35-12-4-9-33-10-13-34-14-11-33/h5-8,15-16H,4,9-14H2,1-3H3,(H2,28,29,30,31,32) | Definition date: | 2014-01-14 | Last modified: | 2014-05-16 | Release date: | 2014-05-21 | Identifier: | 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile |
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| NJD | Name: | N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine | Formula: | C21 H20 N8 O | SMILES: | n2cc1cc(ccc1n2)Nc3nc(nc(OC)n3)NCCc5c4ccccc4nc5 | InChi: | InChI=1S/C21H20N8O/c1-30-21-27-19(22-9-8-13-11-23-18-5-3-2-4-16(13)18)26-20(28-21)25-15-6-7-17-14(10-15)12-24-29-17/h2-7,10-12,23H,8-9H2,1H3,(H,24,29)(H2,22,25,26,27,28) | Definition date: | 2013-11-18 | Last modified: | 2014-05-16 | Release date: | 2014-05-21 | Identifier: | N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine |
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| 4DS | Name: | 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid | Formula: | C16 H10 N2 O6 S4 | SMILES: | O=S(=O)(O)c1cc(N=C=S)ccc1C=Cc2ccc(N=C=S)cc2S(=O)(=O)O | InChi: | InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+ | Definition date: | 2014-01-16 | Last modified: | 2014-04-15 | Release date: | 2014-03-05 | Identifier: | 5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid |
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| RMD | Name: | [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium | Formula: | C19 H24 N O2 Rh | SMILES: | O=C1N(C(=O)CC1)CCC2%10C7C8C9C2[Rh]789%10456C3CCC6C5CCC34 | InChi: | InChI=1S/C11H12NO2.C8H12.Rh/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9 | Definition date: | 2013-10-18 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium |
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| HNN | Name: | PORPHYCENE CONTAINING MN | Formula: | C34 H36 Mn N4 O4 | SMILES: | O=C(O)CCC=7C1=C3C(=C(C=2C=Cc6c(c(c5C8=[N+]4C(=CC=C(N1[Mn]4([N+]=23)n56)C=7C)C(=C8C)CC)C)CC)C)CCC(=O)O | InChi: | InChI=1S/C34H38N4O4.Mn/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31 | Definition date: | 2013-09-27 | Last modified: | 2014-03-21 | Release date: | 2014-03-26 | Identifier: | {3,3'-[9,14-diethyl-4,10,13,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~2,5~.1~8,11~.1~12,15~]tetracosa-1,3,5(24),6,8,10,12(22),13,15,17,19-undecaene-3,20-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}manganese(2+) |
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| JYH | Name: | 4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid | Formula: | C24 H17 N O3 | SMILES: | O=C(Nc1ccc(cc1)C(=O)O)c4cc3c(c2ccccc2)cccc3cc4 | InChi: | InChI=1S/C24H17NO3/c26-23(25-20-13-11-18(12-14-20)24(27)28)19-10-9-17-7-4-8-21(22(17)15-19)16-5-2-1-3-6-16/h1-15H,(H,25,26)(H,27,28) | Definition date: | 2013-04-08 | Last modified: | 2014-03-14 | Release date: | 2014-03-19 | Identifier: | 4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid |
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| 28T | Name: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline | Formula: | C13 H20 N2 O4 | SMILES: | O=C(N1C(C(=O)O)CCC1)CCC(=O)C2NCCC2 | InChi: | InChI=1S/C13H20N2O4/c16-11(9-3-1-7-14-9)5-6-12(17)15-8-2-4-10(15)13(18)19/h9-10,14H,1-8H2,(H,18,19)/t9-,10-/m0/s1 | Definition date: | 2013-09-10 | Last modified: | 2014-03-07 | Release date: | 2014-03-12 | Identifier: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline |
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| 1QC | Name: | N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide | Formula: | C21 H28 N6 O4 S3 | SMILES: | O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C | InChi: | InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27) | Definition date: | 2013-04-26 | Last modified: | 2014-03-07 | Release date: | 2014-03-12 | Identifier: | N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide |
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| W7N | Name: | 5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | Formula: | C20 H19 N3 O6 | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)NCCO)cc2cc3 | InChi: | InChI=1S/C20H19N3O6/c24-8-7-21-17(25)14-5-4-12-9-11(1-3-13(12)10-14)2-6-15-16(19(27)28)22-20(29)23-18(15)26/h1,3-5,9-10,24H,2,6-8H2,(H,21,25)(H,27,28)(H2,22,23,26,29) | Definition date: | 2013-03-13 | Last modified: | 2014-02-28 | Release date: | 2014-03-05 | Identifier: | 5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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| SH3 | Name: | N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Formula: | C18 H27 N2 O9 P | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCc1ccc2OCOc2c1 | InChi: | InChI=1S/C18H27N2O9P/c1-18(2,10-29-30(24,25)26)16(22)17(23)20-8-6-15(21)19-7-5-12-3-4-13-14(9-12)28-11-27-13/h3-4,9,16,22H,5-8,10-11H2,1-2H3,(H,19,21)(H,20,23)(H2,24,25,26)/t16-/m0/s1 | Definition date: | 2013-11-14 | Last modified: | 2014-02-28 | Release date: | 2014-03-05 | Identifier: | N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
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| 1VA | Name: | N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide | Formula: | C20 H21 N3 O3 | SMILES: | O=C(NC(Cc1ccccc1)CO)CCC3=Nc2c(cccc2)C(=O)N3 | InChi: | InChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide |
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| 1VB | Name: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide | Formula: | C19 H20 N4 O4 S | SMILES: | O=S(=O)(N)c1ccc(cc1)C(NC(=O)CCC3=Nc2c(cccc2)C(=O)N3)C | InChi: | InChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)/t12-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide |
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| 1VC | Name: | methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate | Formula: | C21 H21 N3 O4 | SMILES: | O=C(OC)C(NC(=O)CCC2=Nc1c(cccc1)C(=O)N2)Cc3ccccc3 | InChi: | InChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate |
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| 1VD | Name: | N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide | Formula: | C22 H21 N5 O2 | SMILES: | O=C1c4ccccc4N=C(N1)CCC(=O)NC(c2ccc(cc2)n3ccnc3)C | InChi: | InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)/t15-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide |
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| M95 | Name: | (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide | Formula: | C20 H19 N3 O3 | SMILES: | O=C3N=C(C=CC(=O)NC(Cc1ccccc1)CO)Nc2ccccc23 | InChi: | InChI=1S/C20H19N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-11,15,24H,12-13H2,(H,21,25)(H,22,23,26)/b11-10+/t15-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide |
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| 67Z | Name: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea | Formula: | C22 H28 N4 O4 | SMILES: | O=C(N2C(c1c(OC)ccc(OC)c1)CCC2)CNC(=O)NCc3ccc(N)cc3 | InChi: | InChI=1S/C22H28N4O4/c1-29-17-9-10-20(30-2)18(12-17)19-4-3-11-26(19)21(27)14-25-22(28)24-13-15-5-7-16(23)8-6-15/h5-10,12,19H,3-4,11,13-14,23H2,1-2H3,(H2,24,25,28)/t19-/m1/s1 | Definition date: | 2013-02-15 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea |
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| 7B7 | Name: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea | Formula: | C21 H26 N4 O3 | SMILES: | O=C(N2C(c1c(OC)cccc1)CCC2)CNC(=O)NCc3ccc(N)cc3 | InChi: | InChI=1S/C21H26N4O3/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)/t18-/m1/s1 | Definition date: | 2013-02-15 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea |
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| N15 | Name: | 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide | Formula: | C24 H25 N7 O | SMILES: | O=C(NCCC(C)C)Cn5ncc(c1ccc2c(c1)nnc2c4nc3ccccc3n4)c5 | InChi: | InChI=1S/C24H25N7O/c1-15(2)9-10-25-22(32)14-31-13-17(12-26-31)16-7-8-18-21(11-16)29-30-23(18)24-27-19-5-3-4-6-20(19)28-24/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,32)(H,27,28)(H,29,30) | Definition date: | 2012-12-14 | Last modified: | 2014-01-31 | Release date: | 2014-02-05 | Identifier: | 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide |
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| CL0 | Name: | CHLOROPHYLL A ISOMER | Formula: | C55 H72 Mg N4 O5 | SMILES: | CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C | InChi: | InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42 | Definition date: | 2013-12-13 | Last modified: | 2014-01-31 | Release date: | 2014-02-05 |
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| 2GO | Name: | [methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc | Formula: | C55 H70 N4 O6 Zn | SMILES: | O=C(OC)C=3C=2C=1C(=C(C=4N=1[Zn]86N9C=2C(C=3O)=C(C9=CC=7C(=C(C(=Cc5c(C(=O)C)c(c(C=4)n56)C)N=78)C)CC)C)C)CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C | InChi: | InChI=1S/C55H72N4O6.Zn/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3 | Definition date: | 2013-10-16 | Last modified: | 2014-01-17 | Release date: | 2014-01-22 | Identifier: | [methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc |
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| 5BA | Name: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one | Formula: | C23 H31 Br N4 O3 | SMILES: | O=C(c2ccc(OCCC)c(C1=NC(=C(Br)C(=O)N1)C(C)C)c2)CN3CCN(CC3)C | InChi: | InChI=1S/C23H31BrN4O3/c1-5-12-31-19-7-6-16(18(29)14-28-10-8-27(4)9-11-28)13-17(19)22-25-21(15(2)3)20(24)23(30)26-22/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,25,26,30) | Definition date: | 2012-12-25 | Last modified: | 2013-12-27 | Release date: | 2014-01-01 | Identifier: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one |
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| I4I | Name: | 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide | Formula: | C26 H32 N4 O8 | SMILES: | O=C1OC(C(C(=O)NC(C(O)C(C(=O)OC1C(C)C)C)Cc2cccnc2)NC(=O)c3ncccc3O)C | InChi: | InChI=1S/C26H32N4O8/c1-13(2)22-26(36)37-15(4)19(30-24(34)20-18(31)8-6-10-28-20)23(33)29-17(11-16-7-5-9-27-12-16)21(32)14(3)25(35)38-22/h5-10,12-15,17,19,21-22,31-32H,11H2,1-4H3,(H,29,33)(H,30,34)/t14-,15-,17+,19+,21+,22-/m1/s1 | Definition date: | 2013-03-27 | Last modified: | 2013-11-29 | Release date: | 2013-12-04 | Identifier: | 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide |
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| 28W | Name: | 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide | Formula: | C24 H28 Cl N5 O5 | SMILES: | O=C(NO)C(NC(c2c1ccc(Cl)cc1nc2C(=O)NO)C(=O)NCc3ccccc3)CC(C)C | InChi: | InChI=1S/C24H28ClN5O5/c1-13(2)10-18(22(31)29-34)28-20(23(32)26-12-14-6-4-3-5-7-14)19-16-9-8-15(25)11-17(16)27-21(19)24(33)30-35/h3-9,11,13,18,20,27-28,34-35H,10,12H2,1-2H3,(H,26,32)(H,29,31)(H,30,33)/t18-,20+/m0/s1 | Definition date: | 2013-09-11 | Last modified: | 2013-11-08 | Release date: | 2013-11-13 | Identifier: | 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide |
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