![C8M C8M](https://data.pdbj.org/pdbjplus/data/cc/svg/C8M.svg) | C8M | Name: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid
e | Formula: | C15 H23 N7 O4 | SMILES: | O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | InChi: | InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1 | Synonyms: | 5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | Definition date: | 2008-07-31 | Last modified: | 2020-06-17 | Identifier: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name) |
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![CAU CAU](https://data.pdbj.org/pdbjplus/data/cc/svg/CAU.svg) | CAU | Name: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol | Formula: | C18 H22 N2 O2 | SMILES: | OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2 | InChi: | InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1 | Synonyms: | (S)-Carazolol | Definition date: | 2007-10-10 | Last modified: | 2020-06-17 | Identifier: | (2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol |
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![CB9 CB9](https://data.pdbj.org/pdbjplus/data/cc/svg/CB9.svg) | CB9 | Name: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C17 H20 N2 O6 S | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)C(=O)O | InChi: | InChI=1S/C17H20N2O6S/c1-17(2)12(16(24)25)19-14(26-17)10(8-20)18-13(21)11(15(22)23)9-6-4-3-5-7-9/h3-8,10-12,14,19H,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t10-,11+,12+,14-/m1/s1 | Synonyms: | Bound form of Carbenicillin | Definition date: | 2010-10-12 | Last modified: | 2020-06-17 | Identifier: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![CCR CCR](https://data.pdbj.org/pdbjplus/data/cc/svg/CCR.svg) | CCR | Name: | [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE | Formula: | C29 H39 N5 O7 S | SMILES: | O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c2c(c(c(OC)cc2C)C)C)CC(=O)O)Cc3ccc(C(=[N@H])N)cc3 | InChi: | InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1 | Synonyms: | CRC200 (CHIRON-BEHRING) | Definition date: | 2001-10-23 | Last modified: | 2020-06-17 | Identifier: | N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-alpha-asparagine |
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![3B5 3B5](https://data.pdbj.org/pdbjplus/data/cc/svg/3B5.svg) | 3B5 | Name: | AIK-18/51 | Formula: | C30 H38 N9 O4 S | SMILES: | O=C(Nc1nc(C(=O)NCCC[NH+](C)C)c(s1)C(C)C)c4cc(NC(=O)c3cc(NC(=O)c2cccnc2)cn3C)cn4C | InChi: | InChI=1S/C30H37N9O4S/c1-18(2)25-24(29(43)32-11-8-12-37(3)4)35-30(44-25)36-28(42)23-14-21(17-39(23)6)34-27(41)22-13-20(16-38(22)5)33-26(40)19-9-7-10-31-15-19/h7,9-10,13-18H,8,11-12H2,1-6H3,(H,32,43)(H,33,40)(H,34,41)(H,35,36,42)/p+1 | Synonyms: | N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-
2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium | Definition date: | 2014-07-17 | Last modified: | 2020-06-17 | Release date: | 2014-07-30 | Identifier: | N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium |
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![3C0 3C0](https://data.pdbj.org/pdbjplus/data/cc/svg/3C0.svg) | 3C0 | Name: | N-methyl scopolamine | Formula: | C18 H24 N O4 | SMILES: | O=C(OC1CC2[N+](C(C1)C3OC23)(C)C)C(c4ccccc4)CO | InChi: | InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | Synonyms: | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane | Definition date: | 2014-07-23 | Last modified: | 2020-06-17 | Release date: | 2014-11-26 | Identifier: | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane |
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![3FP 3FP](https://data.pdbj.org/pdbjplus/data/cc/svg/3FP.svg) | 3FP | Name: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | Formula: | C22 H23 F4 N5 O2 | SMILES: | FC(F)(F)c1cc(c(F)cc1)Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3 | InChi: | InChI=1S/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)/t16-/m1/s1 | Synonyms: | 1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | Definition date: | 2002-06-11 | Last modified: | 2020-06-17 | Identifier: | (2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol |
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![3HC 3HC](https://data.pdbj.org/pdbjplus/data/cc/svg/3HC.svg) | 3HC | Name: | 3-HYDROXYBUTANOYL-COENZYME A | Formula: | C25 H42 N7 O18 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)C | InChi: | InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1 | Synonyms: | 3-HYDROXYBUTYRYL-COENZYME A | Definition date: | 2000-05-31 | Last modified: | 2020-06-17 | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3S)-3-hydroxybutanethioate (non-preferred name) |
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![405 405](https://data.pdbj.org/pdbjplus/data/cc/svg/405.svg) | 405 | Name: | (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | Formula: | C16 H16 F3 N O | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2 | InChi: | InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | Synonyms: | (S)-Norfluoxetine | Definition date: | 2014-12-22 | Last modified: | 2020-06-17 | Release date: | 2015-03-18 | Identifier: | (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
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![40M 40M](https://data.pdbj.org/pdbjplus/data/cc/svg/40M.svg) | 40M | Name: | N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide | Formula: | C26 H24 Cl2 N4 O3 | SMILES: | O=C(Nc1c(c(ccc1)C)Nc3ncc2cc(ccc2n3)c4c(c(cc(c4Cl)OC)OC)Cl)CC | InChi: | InChI=1S/C26H24Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h6-13H,5H2,1-4H3,(H,30,33)(H,29,31,32) | Synonyms: | BLU9931 bound form | Definition date: | 2015-01-05 | Last modified: | 2020-06-17 | Release date: | 2015-04-01 | Identifier: | N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide |
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![42G 42G](https://data.pdbj.org/pdbjplus/data/cc/svg/42G.svg) | 42G | Name: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | Formula: | C21 H29 N3 O5 S | SMILES: | c1(S(=O)(=O)N)ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(O)CNC(C)C | InChi: | InChI=1S/C21H29N3O5S/c1-15(2)24-13-18(25)14-29-19-7-5-17(6-8-19)21(26)23-12-11-16-3-9-20(10-4-16)30(22,27)28/h3-10,15,18,24-25H,11-14H2,1-2H3,(H,23,26)(H2,22,27,28)/t18-/m1/s1 | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | Definition date: | 2017-08-07 | Last modified: | 2020-06-17 | Release date: | 2018-08-01 | Identifier: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
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![433 433](https://data.pdbj.org/pdbjplus/data/cc/svg/433.svg) | 433 | Name: | 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC
ACID | Formula: | C28 H28 Cl3 F N2 O4 | SMILES: | Clc3c(NC(=O)N(CCc1c(F)cccc1Cl)CCCc2ccc(OC(C(=O)O)(C)C)cc2)cccc3Cl | InChi: | InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36) | Synonyms: | GW2433 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 2-[4-(3-{[2-(2-chloro-6-fluorophenyl)ethyl][(2,3-dichlorophenyl)carbamoyl]amino}propyl)phenoxy]-2-methylpropanoic acid |
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![43Y 43Y](https://data.pdbj.org/pdbjplus/data/cc/svg/43Y.svg) | 43Y | Name: | [(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate | Formula: | C14 H29 N O8 P | SMILES: | O=C(OCC(OC(=O)CC)COP(=O)(OCC[N+](C)(C)C)O)CC | InChi: | InChI=1S/C14H28NO8P/c1-6-13(16)20-10-12(23-14(17)7-2)11-22-24(18,19)21-9-8-15(3,4)5/h12H,6-11H2,1-5H3/p+1/t12-/m1/s1 | Synonyms: | 1,2-dipropionyl-sn-glycero-3-phosphocholine | Definition date: | 2015-02-03 | Last modified: | 2020-06-17 | Release date: | 2016-02-03 | Identifier: | (4S,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(propanoyloxy)-3,5,9-trioxa-4-phosphadodecan-1-aminium 4-oxide |
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![44I 44I](https://data.pdbj.org/pdbjplus/data/cc/svg/44I.svg) | 44I | Name: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy
rrolidin-3-yl}naphthalene-2-sulfonamide | Formula: | C27 H36 Cl N5 O4 S | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(CC3)C(C(=O)N4CC5CC(C4)CN(C5)CCNC)C | InChi: | InChI=1S/C27H36ClN5O4S/c1-18(26(34)32-16-19-11-20(17-32)15-31(14-19)10-8-29-2)33-9-7-25(27(33)35)30-38(36,37)24-6-4-21-12-23(28)5-3-22(21)13-24/h3-6,12-13,18-20,25,29-30H,7-11,14-17H2,1-2H3/t18-,19-,20+,25-/m0/s1 | Synonyms: | GTC000441 | Definition date: | 2015-02-13 | Last modified: | 2020-06-17 | Release date: | 2015-09-30 | Identifier: | 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide |
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![48W 48W](https://data.pdbj.org/pdbjplus/data/cc/svg/48W.svg) | 48W | Name: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf
onamide | Formula: | C23 H27 Cl N4 O5 S | SMILES: | O=C4N(C)CCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)CC4 | InChi: | InChI=1S/C23H27ClN4O5S/c1-15(22(30)27-9-8-21(29)26(2)11-12-27)28-10-7-20(23(28)31)25-34(32,33)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-15,20,25H,7-12H2,1-2H3/t15-,20-/m0/s1 | Synonyms: | GTC000398 | Definition date: | 2015-02-13 | Last modified: | 2020-06-17 | Release date: | 2015-09-30 | Identifier: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide |
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![493 493](https://data.pdbj.org/pdbjplus/data/cc/svg/493.svg) | 493 | Name: | {4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID | Formula: | C32 H36 N3 O9 P | SMILES: | O=C(O)COc1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27-/m0/s1 | Synonyms: | RU85493 | Definition date: | 2003-06-20 | Last modified: | 2020-06-17 | Identifier: | {4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-phosphonophenoxy}acetic acid |
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![4AG 4AG](https://data.pdbj.org/pdbjplus/data/cc/svg/4AG.svg) | 4AG | Name: | (2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE | Formula: | C35 H68 O5 | SMILES: | O=C(OC(COC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1 | Synonyms: | SN-1,2-DIPALMITOYL DIACYLGLYCEROL | Definition date: | 2011-03-31 | Last modified: | 2020-06-17 | Identifier: | (2R)-3-hydroxypropane-1,2-diyl dihexadecanoate |
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![4D7 4D7](https://data.pdbj.org/pdbjplus/data/cc/svg/4D7.svg) | 4D7 | Name: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine | Formula: | C16 H15 N3 O4 | SMILES: | O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C | InChi: | InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1 | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid | Definition date: | 2009-10-22 | Last modified: | 2020-06-17 | Identifier: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine |
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![4D9 4D9](https://data.pdbj.org/pdbjplus/data/cc/svg/4D9.svg) | 4D9 | Name: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine | Formula: | C19 H15 N3 O3 S | SMILES: | O=C(O)C(NC(=O)c2sc1ccccc1c2)Cc4nc3ccccc3n4 | InChi: | InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1 | Synonyms: | (R)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-3-(1H-benzoimidazol-2-yl)-propionic acid | Definition date: | 2009-10-22 | Last modified: | 2020-06-17 | Identifier: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine |
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![6O5 6O5](https://data.pdbj.org/pdbjplus/data/cc/svg/6O5.svg) | 6O5 | Name: | 3-(furan-2-yl)propanoic acid | Formula: | C7 H8 O3 | SMILES: | c1c(occ1)CCC(O)=O | InChi: | InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9) | Synonyms: | MB605 | Definition date: | 2015-07-21 | Last modified: | 2020-06-17 | Release date: | 2015-08-12 | Identifier: | 3-(furan-2-yl)propanoic acid |
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![6O7 6O7](https://data.pdbj.org/pdbjplus/data/cc/svg/6O7.svg) | 6O7 | Name: | Plicamycin, mithramycin analogue MTM SA-Phe | Formula: | C59 H81 N O24 | SMILES: | C1(Cc8c(C(=O)C1OC2OC(C)C(C(C2)OC3OC(C)C(O)C(C3)OC4OC(C)C(O)C(O)(C4)C)O)c(c7c(c(C)c(OC5OC(C)C(O)C(C5)OC6CC(C(C(O6)C)O)O)cc7c8)O)O)C(OC)C(NC(C(OC)=O)Cc9ccccc9)=O | InChi: | InChI=1S/C59H81NO24/c1-24-36(80-41-20-37(49(64)26(3)76-41)81-40-19-35(61)48(63)25(2)75-40)18-32-16-31-17-33(55(73-8)57(70)60-34(58(71)74-9)15-30-13-11-10-12-14-30)54(53(68)46(31)52(67)45(32)47(24)62)84-43-22-38(50(65)28(5)78-43)82-42-21-39(51(66)27(4)77-42)83-44-23-59(7,72)56(69)29(6)79-44/h10-14,16,18,25-29,33-35,37-44,48-51,54-56,61-67,69,72H,15,17,19-23H2,1-9H3,(H,60,70)/t25-,26-,27-,28-,29-,33-,34+,35-,37-,38-,39-,40+,41+,42+,43+,44+,48-,49-,50-,51+,54+,55+,56-,59+/m1/s1 | Synonyms: | methyl
(2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-p
yran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4
R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-y
l]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name) | Definition date: | 2016-05-12 | Last modified: | 2020-06-17 | Release date: | 2016-09-14 | Identifier: | methyl (2S)-2-({(2S)-2-[(2R,3S)-3-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-2-methoxyacetyl}amino)-3-phenylpropanoate (non-preferred name) |
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![6OX 6OX](https://data.pdbj.org/pdbjplus/data/cc/svg/6OX.svg) | 6OX | Name: | 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]
phenyl]imidazol-4-yl]propan-2-ol | Formula: | C29 H28 Cl2 F2 N2 O4 S | SMILES: | CC(C)(O)c1cn(c2ccc(cc2F)c3cc(F)c(CO)c(c3)[S](C)(=O)=O)c(n1)C(C)(C)c4c(Cl)cccc4Cl | InChi: | InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | Synonyms: | BMS-852927 | Definition date: | 2016-05-17 | Last modified: | 2020-06-17 | Release date: | 2016-11-02 | Identifier: | 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl]phenyl]imidazol-4-yl]propan-2-ol |
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![987 987](https://data.pdbj.org/pdbjplus/data/cc/svg/987.svg) | 987 | Name: | N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid
e | Formula: | C22 H27 Cl N4 O4 S | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)NC4C(=O)N(C(C(=O)N3CCCC(N)C3)C)CC4 | InChi: | InChI=1S/C22H27ClN4O4S/c1-14(21(28)26-9-2-3-18(24)13-26)27-10-8-20(22(27)29)25-32(30,31)19-7-5-15-11-17(23)6-4-16(15)12-19/h4-7,11-12,14,18,20,25H,2-3,8-10,13,24H2,1H3/t14-,18-,20-/m0/s1 | Synonyms: | GTC000422 | Definition date: | 2015-02-13 | Last modified: | 2020-06-17 | Release date: | 2015-09-30 | Identifier: | N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide |
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![998 998](https://data.pdbj.org/pdbjplus/data/cc/svg/998.svg) | 998 | Name: | N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | Formula: | C25 H38 N4 O3 | SMILES: | O=C(NC2c1ccccc1CCC2)C3N(C(=O)C(NC(=O)C(NC)C)C(C)(C)C)CCC3 | InChi: | InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1 | Synonyms: | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-PYRROLIDINE-2-CARBOXYLIC
ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | Definition date: | 2004-06-22 | Last modified: | 2020-06-17 | Identifier: | N-methyl-L-alanyl-3-methyl-L-valyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide |
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![99M 99M](https://data.pdbj.org/pdbjplus/data/cc/svg/99M.svg) | 99M | Name: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo
[3,4-d]pyrimidin-3-one | Formula: | C26 H29 N7 O3 | SMILES: | c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc4ccc(cc4)N5CCOCC5)CC=C)C(C)(O)C | InChi: | InChI=1S/C26H29N7O3/c1-4-12-32-24(34)20-17-27-25(28-18-8-10-19(11-9-18)31-13-15-36-16-14-31)30-23(20)33(32)22-7-5-6-21(29-22)26(2,3)35/h4-11,17,35H,1,12-16H2,2-3H3,(H,27,28,30) | Synonyms: | RAC-IV-050 | Definition date: | 2017-04-11 | Last modified: | 2020-06-17 | Release date: | 2018-04-04 | Identifier: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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