![806 806](https://data.pdbj.org/pdbjplus/data/cc/svg/806.svg) | 806 | Name: | 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID | Formula: | C31 H31 N5 O | SMILES: | [N@H]=C(N6CCC(Oc3ccc2c1ccccc1n(c2c3)Cc5cc4cc(C(=[N@H])N)ccc4cc5)CC6)C | InChi: | InChI=1S/C31H31N5O/c1-20(32)35-14-12-25(13-15-35)37-26-10-11-28-27-4-2-3-5-29(27)36(30(28)18-26)19-21-6-7-22-8-9-23(31(33)34)17-24(22)16-21/h2-11,16-18,25,32H,12-15,19H2,1H3,(H3,33,34)/b32-20- | Synonyms: | ZK-806450 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 7-{[2-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-9H-carbazol-9-yl]methyl}naphthalene-2-carboximidamide |
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![808 808](https://data.pdbj.org/pdbjplus/data/cc/svg/808.svg) | 808 | Name: | N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide | Formula: | C18 H20 F3 N O3 S | SMILES: | FC(F)(F)c1oc(cc1)Cc2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3 | InChi: | InChI=1S/C18H20F3NO3S/c1-11(2)26(23,24)22-15-9-13-4-3-12(7-14(13)10-15)8-16-5-6-17(25-16)18(19,20)21/h3-7,11,15,22H,8-10H2,1-2H3/t15-/m0/s1 | Synonyms: | (S)-N-(5-((5-(trifluoromethyl)furan-2-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide | Definition date: | 2010-11-23 | Last modified: | 2020-06-17 | Identifier: | N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide |
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![ON3 ON3](https://data.pdbj.org/pdbjplus/data/cc/svg/ON3.svg) | ON3 | Name: | 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan
ecarboxylic acid | Formula: | C31 H34 O7 | SMILES: | c1(cc(c(c(c1)OC)C)OC)C(C(COc2ccc(cc2)C3(C(O)=O)CC3)OC4Cc5c(C4)cccc5)O | InChi: | InChI=1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1 | Synonyms: | ONO-3080573 | Definition date: | 2015-03-31 | Last modified: | 2020-06-17 | Release date: | 2015-06-03 | Identifier: | 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid |
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![ON7 ON7](https://data.pdbj.org/pdbjplus/data/cc/svg/ON7.svg) | ON7 | Name: | {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1
H-pyrrol-3-yl}acetic acid | Formula: | C30 H35 N O7 | SMILES: | O=C(c1c(cn(c1)CC(C(O)c2cc(OC)c(C)c(c2)OC)CC4Cc3ccccc3C4)CC(=O)O)OC | InChi: | InChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1 | Synonyms: | ONO9780307 | Definition date: | 2015-03-31 | Last modified: | 2020-06-17 | Release date: | 2015-06-03 | Identifier: | {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}acetic acid |
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![ONK ONK](https://data.pdbj.org/pdbjplus/data/cc/svg/ONK.svg) | ONK | Name: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide | Formula: | C27 H50 N4 O5 | SMILES: | O=C(NC(CC(C)C)C(O)C(=C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C | InChi: | InChI=1S/C27H50N4O5/c1-10-11-12-13-22(32)30-24(18(4)5)27(36)28-20(14-15-23(33)31(8)9)26(35)29-21(16-17(2)3)25(34)19(6)7/h17-18,20-21,24-25,34H,6,10-16H2,1-5,7-9H3,(H,28,36)(H,29,35)(H,30,32)/t20-,21-,24-,25-/m0/s1 | Synonyms: | vinylketone carmaphycin analogue VNK1, single bound form | Definition date: | 2012-11-01 | Last modified: | 2020-06-17 | Release date: | 2014-01-29 | Identifier: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide |
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![817 817](https://data.pdbj.org/pdbjplus/data/cc/svg/817.svg) | 817 | Name: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE | Formula: | C10 H11 F3 N4 S | SMILES: | FC(F)(F)c1cccc(c1)CSC(=[N@H])NC(=[N@H])N | InChi: | InChI=1S/C10H11F3N4S/c11-10(12,13)7-3-1-2-6(4-7)5-18-9(16)17-8(14)15/h1-4H,5H2,(H5,14,15,16,17) | Synonyms: | 3-(TRIFLUOROMETHYL)BENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE | Definition date: | 2005-08-29 | Last modified: | 2020-06-17 | Identifier: | 3-(trifluoromethyl)benzyl N-carbamimidoylimidothiocarbamate |
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![818 818](https://data.pdbj.org/pdbjplus/data/cc/svg/818.svg) | 818 | Name: | 18-HYDROXYASCOMYCIN | Formula: | C43 H69 N O13 | SMILES: | O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(C(O)C(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CC | InChi: | InChI=1S/C43H69NO13/c1-10-29-18-23(2)37(48)24(3)19-35(54-8)39-36(55-9)20-26(5)43(52,57-39)40(49)41(50)44-16-12-11-13-30(44)42(51)56-38(27(6)32(46)22-33(29)47)25(4)17-28-14-15-31(45)34(21-28)53-7/h17-18,24,26-32,34-39,45-46,48,52H,10-16,19-22H2,1-9H3/b23-18+,25-17+/t24-,26-,27-,28+,29-,30+,31-,32+,34-,35+,36+,37-,38-,39-,43-/m1/s1 | Synonyms: | L-685,818 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (3S,4R,5S,8R,9E,11S,12R,14S,15R,16S,18R,19R,26aS)-8-ethyl-5,11,19-trihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone |
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![821 821](https://data.pdbj.org/pdbjplus/data/cc/svg/821.svg) | 821 | Name: | [4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET
IC ACID | Formula: | C33 H33 N3 O6 | SMILES: | O=C(O)Cc1ccc(cc1C=O)C=C(/NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C33H33N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,21,29H,5-6,9,16,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/m0/s1 | Synonyms: | RU82129 | Definition date: | 2003-06-20 | Last modified: | 2020-06-17 | Identifier: | {4-[(1Z)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-en-1-yl]-2-formylphenyl}acetic acid |
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![822 822](https://data.pdbj.org/pdbjplus/data/cc/svg/822.svg) | 822 | Name: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE | Formula: | C31 H34 F2 N3 O6 P | SMILES: | FC(F)(c1ccc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4)P(=O)(O)O | InChi: | InChI=1S/C31H34F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)(H2,40,41,42)/t27-,28-/m0/s1 | Synonyms: | RU82209 | Definition date: | 2003-06-20 | Last modified: | 2020-06-17 | Identifier: | Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]-L-phenylalaninamide |
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![OP1 OP1](https://data.pdbj.org/pdbjplus/data/cc/svg/OP1.svg) | OP1 | Name: | 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline | Formula: | C11 H18 N4 O5 | SMILES: | O=C(O)C(N1C(=O)CCC1C(=O)O)CCCNC(=[N@H])N | InChi: | InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m0/s1 | Synonyms: | Pyronopaline | Definition date: | 2014-02-28 | Last modified: | 2020-06-17 | Release date: | 2014-10-22 | Identifier: | 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline |
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![OPD OPD](https://data.pdbj.org/pdbjplus/data/cc/svg/OPD.svg) | OPD | Name: | 9R,13R-12-OXOPHYTODIENOIC ACID | Formula: | C18 H28 O3 | SMILES: | O=C1C=CC(CCCCCCCC(=O)O)C1C/C=C/CC | InChi: | InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1 | Synonyms: | 9R,13R-OPDA | Definition date: | 2001-04-06 | Last modified: | 2020-06-17 | Identifier: | 8-[(1R,5R)-4-oxo-5-pent-2-en-1-ylcyclopent-2-en-1-yl]octanoic acid |
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![83A 83A](https://data.pdbj.org/pdbjplus/data/cc/svg/83A.svg) | 83A | Name: | N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid | Formula: | C20 H22 N6 O6 | SMILES: | c31c(N=C(NC1=O)N)nc(CCNc2ccc(C(=O)NC(C(=O)O)CCC(O)=O)cc2)c3 | InChi: | InChI=1S/C20H22N6O6/c21-20-25-16-13(18(30)26-20)9-12(23-16)7-8-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,9,14,22H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t14-/m0/s1 | Synonyms: | antifolate AGF183 | Definition date: | 2016-03-28 | Last modified: | 2020-06-17 | Release date: | 2016-08-10 | Identifier: | N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid |
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![83H 83H](https://data.pdbj.org/pdbjplus/data/cc/svg/83H.svg) | 83H | Name: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one | Formula: | C21 H24 N4 O | SMILES: | O=C3N(c2cc1c5c(nc1cc2C3(C)C)c4nnc(c4CCC5)C)CC | InChi: | InChI=1S/C21H24N4O/c1-5-25-17-9-14-13-8-6-7-12-11(2)23-24-19(12)18(13)22-16(14)10-15(17)21(3,4)20(25)26/h9-10,22H,5-8H2,1-4H3,(H,23,24) | Synonyms: | 8-Ethyl-2,5,6,12-tetrahydro-3,10,10-trimethyl-9-oxo-pyrazolo[4'3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indole | Definition date: | 2008-04-02 | Last modified: | 2020-06-17 | Identifier: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one |
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![OQR OQR](https://data.pdbj.org/pdbjplus/data/cc/svg/OQR.svg) | OQR | Name: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | Formula: | C14 H21 N3 O3 | SMILES: | C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O-])=O | InChi: | InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m1/s1 | Synonyms: | oxamniquine | Definition date: | 2015-06-11 | Last modified: | 2020-06-17 | Release date: | 2015-09-30 | Identifier: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol |
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![840 840](https://data.pdbj.org/pdbjplus/data/cc/svg/840.svg) | 840 | Name: | Platensimycin A1 | Formula: | C24 H25 N O8 | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC5(C(=O)C=CC43CC26C(OC2(C3O)C)(C45)C6)C | InChi: | InChI=1S/C24H25NO8/c1-20(7-6-14(28)25-15-12(26)4-3-11(16(15)29)17(30)31)13(27)5-8-22-9-23-10-24(23,18(20)22)33-21(23,2)19(22)32/h3-5,8,18-19,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t18-,19+,20-,21+,22-,23+,24-/m1/s1 | Synonyms: | 2,4-dihydroxy-3-({3-[(1aR,2R,3R,3aS,7S,7aS,7bR)-3-hydroxy-2,7-dimethyl-6-oxo-2,3,7,7a-tetrahydro-6H-2,7b-epoxy-1a,3a-me
thanocyclopropa[a]naphthalen-7(1H)-yl]propanoyl}amino)benzoic acid | Definition date: | 2009-07-10 | Last modified: | 2020-06-17 | Identifier: | 2,4-dihydroxy-3-({3-[(1aR,2R,3R,3aS,7S,7aS,7bR)-3-hydroxy-2,7-dimethyl-6-oxo-2,3,7,7a-tetrahydro-6H-2,7b-epoxy-1a,3a-methanocyclopropa[a]naphthalen-7(1H)-yl]propanoyl}amino)benzoic acid |
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![846 846](https://data.pdbj.org/pdbjplus/data/cc/svg/846.svg) | 846 | Name: | [4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN]
METHYL-2-THIAZOLYLBENZAMIDE | Formula: | C34 H36 N4 O4 S | SMILES: | O=C(c1cccc(c1)CN4C(=O)N(CC2CC2)C(Cc3ccccc3)C(O)C(O)C4Cc5ccccc5)Nc6nccs6 | InChi: | InChI=1S/C34H36N4O4S/c39-30-28(19-23-8-3-1-4-9-23)37(21-25-14-15-25)34(42)38(29(31(30)40)20-24-10-5-2-6-11-24)22-26-12-7-13-27(18-26)32(41)36-33-35-16-17-43-33/h1-13,16-18,25,28-31,39-40H,14-15,19-22H2,(H,35,36,41)/t28-,29-,30+,31+/m1/s1 | Synonyms: | INHIBITOR Q8467 OF DUPONT MERCK | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-1,3-thiazol-2-ylbenzamide |
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![847 847](https://data.pdbj.org/pdbjplus/data/cc/svg/847.svg) | 847 | Name: | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE | Formula: | C18 H13 Br N4 O5 | SMILES: | [O-]C(=O)CC(C([O-])=O)c3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(Br)c3 | InChi: | InChI=1S/C18H15BrN4O5/c19-11-4-8(9(18(27)28)6-14(24)25)3-10(15(11)26)17-22-12-2-1-7(16(20)21)5-13(12)23-17/h1-5,9,26H,6H2,(H3,20,21)(H,22,23)(H,24,25)(H,27,28)/p-2/t9-/m1/s1 | Synonyms: | CRA_16847 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | (2R)-2-(3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)butanedioate |
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![ORE ORE](https://data.pdbj.org/pdbjplus/data/cc/svg/ORE.svg) | ORE | Name: | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID | Formula: | C21 H10 F2 O7 | SMILES: | O=C(O)c4ccc(C=1c3c(OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=O)O)c4 | InChi: | InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29) | Synonyms: | OREGON GREEN 488 CARBOXYLATE | Definition date: | 2005-07-21 | Last modified: | 2020-06-17 | Identifier: | 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid |
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![853 853](https://data.pdbj.org/pdbjplus/data/cc/svg/853.svg) | 853 | Name: | 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | Formula: | C33 H35 N3 O7 | SMILES: | O=C(O)c1cc(ccc1CC(=O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1 | Synonyms: | RU85053 | Definition date: | 2003-06-20 | Last modified: | 2020-06-17 | Identifier: | 5-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-(carboxymethyl)benzoic acid |
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![OSB OSB](https://data.pdbj.org/pdbjplus/data/cc/svg/OSB.svg) | OSB | Name: | 2-SUCCINYLBENZOATE | Formula: | C11 H10 O5 | SMILES: | O=C(O)c1ccccc1C(=O)CCC(=O)O | InChi: | InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) | Synonyms: | O-SUCCINYLBENZOATE | Definition date: | 2000-08-11 | Last modified: | 2020-06-17 | Identifier: | 2-(3-carboxypropanoyl)benzoic acid |
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![OSP OSP](https://data.pdbj.org/pdbjplus/data/cc/svg/OSP.svg) | OSP | Name: | SULTHIAME | Formula: | C10 H14 N2 O4 S2 | SMILES: | O=S2(=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2 | InChi: | InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | Synonyms: | 4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE | Definition date: | 2007-06-21 | Last modified: | 2020-06-17 | Identifier: | 4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide |
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![869 869](https://data.pdbj.org/pdbjplus/data/cc/svg/869.svg) | 869 | Name: | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE | Formula: | C23 H26 N2 O5 S | SMILES: | O=C(c1c(O)n(nc1)C(C)(C)C)c3ccc(c(c2ccc(OC)cc2)c3C)S(=O)(=O)C | InChi: | InChI=1S/C23H26N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,27H,1-6H3 | Synonyms: | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)-(6-METHANESULFONYL-4'-METHOXY-2-METHYL-BIPHENYL-3-YL)-METHANONE | Definition date: | 2004-03-29 | Last modified: | 2020-06-17 | Identifier: | (1-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)[4'-methoxy-2-methyl-6-(methylsulfonyl)biphenyl-3-yl]methanone |
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![86B 86B](https://data.pdbj.org/pdbjplus/data/cc/svg/86B.svg) | 86B | Name: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide | Formula: | C12 H20 N2 O4 S | SMILES: | c1(S(=O)(=O)N)ccc(cc1)OCC(CNC(C)C)O | InChi: | InChI=1S/C12H20N2O4S/c1-9(2)14-7-10(15)8-18-11-3-5-12(6-4-11)19(13,16)17/h3-6,9-10,14-15H,7-8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | Definition date: | 2017-08-02 | Last modified: | 2020-06-17 | Release date: | 2018-08-01 | Identifier: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide |
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![OT5 OT5](https://data.pdbj.org/pdbjplus/data/cc/svg/OT5.svg) | OT5 | Name: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone | Formula: | C25 H28 Cl2 N4 O2 | SMILES: | Clc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(C)C)CC3)cc(Cl)c4O | InChi: | InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17- | Synonyms: | OTSSP167 | Definition date: | 2014-02-17 | Last modified: | 2020-06-17 | Release date: | 2014-07-08 | Identifier: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone |
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![876 876](https://data.pdbj.org/pdbjplus/data/cc/svg/876.svg) | 876 | Name: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE | Formula: | C30 H35 N3 O9 P2 | SMILES: | O=P(O)(O)c1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | InChi: | InChI=1S/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/m0/s1 | Synonyms: | RU83876 | Definition date: | 2003-06-20 | Last modified: | 2020-06-17 | Identifier: | Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphono-L-phenylalaninamide |
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