![0GM 0GM](https://data.pdbj.org/pdbjplus/data/cc/svg/0GM.svg) | 0GM | Name: | N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide | Formula: | C51 H61 N5 O6 | SMILES: | O=C6NC(C(O)CC(=O)NC(C(=O)NCc1cccc(c1)CNC(=O)CCC6NC(=O)C(Cc3c2ccccc2ccc3)Cc5c4ccccc4ccc5)CC(C)C)CC(C)C | InChi: | InChI=1S/C51H61N5O6/c1-32(2)24-44-46(57)29-48(59)54-45(25-33(3)4)50(61)53-31-35-13-9-12-34(26-35)30-52-47(58)23-22-43(51(62)56-44)55-49(60)40(27-38-18-10-16-36-14-5-7-20-41(36)38)28-39-19-11-17-37-15-6-8-21-42(37)39/h5-21,26,32-33,40,43-46,57H,22-25,27-31H2,1-4H3,(H,52,58)(H,53,61)(H,54,59)(H,55,60)(H,56,62)/t43-,44-,45-,46-/m0/s1 | Synonyms: | CP-129,541 | Definition date: | 2008-09-14 | Last modified: | 2021-03-13 | Identifier: | N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide |
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![0JG 0JG](https://data.pdbj.org/pdbjplus/data/cc/svg/0JG.svg) | 0JG | Name: | methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate | Formula: | C21 H21 N5 O3 | SMILES: | O=C(OC)C(C#N)Cc2c(c1c(ncnc1n2/C=C/CO)N)c3ccc(cc3)C | InChi: | InChI=1S/C21H21N5O3/c1-13-4-6-14(7-5-13)17-16(10-15(11-22)21(28)29-2)26(8-3-9-27)20-18(17)19(23)24-12-25-20/h3-8,12,15,27H,9-10H2,1-2H3,(H2,23,24,25)/b8-3+/t15-/m0/s1 | Synonyms: | (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | Definition date: | 2012-01-23 | Last modified: | 2021-03-13 | Identifier: | methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate |
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![BK2 BK2](https://data.pdbj.org/pdbjplus/data/cc/svg/BK2.svg) | BK2 | Name: | 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C19 H19 N5 | SMILES: | n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C(C)(C)C)N | InChi: | InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22) | Synonyms: | 4-Amino-1-tert-butyl-3-(2-naphthyl)pyrazolo[3,4-d]pyrimidine | Definition date: | 2009-07-09 | Last modified: | 2021-03-13 | Identifier: | 1-tert-butyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![0KN 0KN](https://data.pdbj.org/pdbjplus/data/cc/svg/0KN.svg) | 0KN | Name: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide | Formula: | C31 H43 N3 O6 | SMILES: | O=C(NC(Cc2ccc1OCOc1c2)C(O)CNC4c3c(ncc(c3)CC(C)(C)C)OC5(C4)CCC5)C(OC)C | InChi: | InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1 | Synonyms: | (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide | Definition date: | 2012-02-03 | Last modified: | 2021-03-13 | Identifier: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide |
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![BL6 BL6](https://data.pdbj.org/pdbjplus/data/cc/svg/BL6.svg) | BL6 | Name: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Formula: | C18 H16 N2 O2 | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc(cc4)C | InChi: | InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 | Synonyms: | S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Definition date: | 2008-01-19 | Last modified: | 2021-03-13 | Identifier: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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![BL7 BL7](https://data.pdbj.org/pdbjplus/data/cc/svg/BL7.svg) | BL7 | Name: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Formula: | C17 H14 N2 O2 | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cccc4 | InChi: | InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1 | Synonyms: | (S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one | Definition date: | 2008-01-19 | Last modified: | 2021-03-13 | Identifier: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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![BMF BMF](https://data.pdbj.org/pdbjplus/data/cc/svg/BMF.svg) | BMF | Name: | Bromosporine | Formula: | C17 H20 N6 O4 S | SMILES: | c1(ccc(C)c(c1)NS(=O)(C)=O)c2nn3c(c(NC(OCC)=O)c2)nnc3C | InChi: | InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24) | Synonyms: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate | Definition date: | 2015-06-19 | Last modified: | 2021-03-13 | Release date: | 2015-07-07 | Identifier: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate |
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![0MA 0MA](https://data.pdbj.org/pdbjplus/data/cc/svg/0MA.svg) | 0MA | Name: | maslinic acid | Formula: | C30 H46 O4 | SMILES: | O=C(O)C54C=CC(C)(C)CC5C3=CCC1C(CCC2C1(C)CC(O)C(O)C2(C)C)(C)C3(C)CC4 | InChi: | InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,12,14,19-23,31-32H,9-11,13,15-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1 | Synonyms: | (2beta,3beta,5beta,18alpha)-2,3-dihydroxyoleana-12,21-dien-28-oic acid | Definition date: | 2007-08-06 | Last modified: | 2021-03-13 | Identifier: | (2beta,3beta,5beta,18alpha)-2,3-dihydroxyoleana-12,21-dien-28-oic acid |
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![BN2 BN2](https://data.pdbj.org/pdbjplus/data/cc/svg/BN2.svg) | BN2 | Name: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID | Formula: | C21 H21 Cl3 N2 O5 | SMILES: | Clc1cc(cc(Cl)c1OCCCCCCC(=O)O)NC(=O)NC(=O)c2ccccc2Cl | InChi: | InChI=1S/C21H21Cl3N2O5/c22-15-8-5-4-7-14(15)20(29)26-21(30)25-13-11-16(23)19(17(24)12-13)31-10-6-2-1-3-9-18(27)28/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,27,28)(H2,25,26,29,30) | Synonyms: | 7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID | Definition date: | 2004-12-14 | Last modified: | 2021-03-13 | Identifier: | 7-[2,6-dichloro-4-({[(2-chlorophenyl)carbonyl]carbamoyl}amino)phenoxy]heptanoic acid |
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![BN4 BN4](https://data.pdbj.org/pdbjplus/data/cc/svg/BN4.svg) | BN4 | Name: | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID | Formula: | C20 H20 Cl2 N2 O5 | SMILES: | O=C(c1ccc(Cl)cc1Cl)NC(=O)Nc2ccc(OCCCC(=O)O)c(c2C)C | InChi: | InChI=1S/C20H20Cl2N2O5/c1-11-12(2)17(29-9-3-4-18(25)26)8-7-16(11)23-20(28)24-19(27)14-6-5-13(21)10-15(14)22/h5-8,10H,3-4,9H2,1-2H3,(H,25,26)(H2,23,24,27,28) | Synonyms: | 4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID | Definition date: | 2004-12-10 | Last modified: | 2021-03-13 | Identifier: | 4-[4-({[(2,4-dichlorophenyl)carbonyl]carbamoyl}amino)-2,3-dimethylphenoxy]butanoic acid |
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![0MU 0MU](https://data.pdbj.org/pdbjplus/data/cc/svg/0MU.svg) | 0MU | Name: | (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C16 H23 N3 O8 S | SMILES: | CC(=O)OC[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=O | InChi: | InChI=1S/C16H23N3O8S/c1-8(21)27-6-9-7-28-14(19-13(9)16(25)26)11(5-20)18-12(22)4-2-3-10(17)15(23)24/h5,9-11,14H,2-4,6-7,17H2,1H3,(H,18,22)(H,23,24)(H,25,26)/t9-,10+,11+,14+/m0/s1 | Synonyms: | CEPHALOSPORIN C, bound form | Definition date: | 2012-03-05 | Last modified: | 2021-03-13 | Release date: | 2017-07-12 | Identifier: | (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![BOB BOB](https://data.pdbj.org/pdbjplus/data/cc/svg/BOB.svg) | BOB | Name: | (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid | Formula: | C19 H35 N3 O8 S | SMILES: | O=C(NC(C(=O)NCC(=O)O)CSC(C(O)CCCCC)CCO)CCC(C(=O)O)N | InChi: | InChI=1S/C19H35N3O8S/c1-2-3-4-5-14(24)15(8-9-23)31-11-13(18(28)21-10-17(26)27)22-16(25)7-6-12(20)19(29)30/h12-15,23-24H,2-11,20H2,1H3,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t12-,13-,14+,15-/m0/s1 | Synonyms: | L-gamma-glutamyl-S-[(1S,2R)-2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-cysteinylglycine | Definition date: | 2009-08-12 | Last modified: | 2021-03-13 | Identifier: | L-gamma-glutamyl-S-[(3S,4R)-1,4-dihydroxynonan-3-yl]-L-cysteinylglycine |
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![BP7 BP7](https://data.pdbj.org/pdbjplus/data/cc/svg/BP7.svg) | BP7 | Name: | 1,1'-BIPHENYL-3,4-DIOL | Formula: | C12 H10 O2 | SMILES: | Oc2ccc(c1ccccc1)cc2O | InChi: | InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H | Synonyms: | 3,4-DIHYDROXYBIPHENYL | Definition date: | 2005-12-14 | Last modified: | 2021-03-13 | Identifier: | biphenyl-3,4-diol |
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![0QS 0QS](https://data.pdbj.org/pdbjplus/data/cc/svg/0QS.svg) | 0QS | Name: | N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | Formula: | C36 H56 F2 N7 O8 S | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NCCN2CCOCC2)Cc3[nH+]cnc3)Cc4ccccc4)C(C)(C)C | InChi: | InChI=1S/C36H55F2N7O8S/c1-34(2,3)54(51,52)44-29(20-25-10-6-4-7-11-25)32(47)42-28(22-27-23-39-24-41-27)31(46)43-30(21-26-12-8-5-9-13-26)36(49,50)35(37,38)33(48)40-14-15-45-16-18-53-19-17-45/h4,6-7,10-11,23-24,26,28-30,44,49-50H,5,8-9,12-22H2,1-3H3,(H,39,41)(H,40,48)(H,42,47)(H,43,46)/p+1/t28-,29-,30-/m0/s1 | Synonyms: | PD-135,040 | Definition date: | 2008-09-14 | Last modified: | 2021-03-13 | Identifier: | N-(tert-butylsulfonyl)-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(morpholin-4-yl)ethyl]amino}-5-oxopentan-2-yl]-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide |
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![BR1 BR1](https://data.pdbj.org/pdbjplus/data/cc/svg/BR1.svg) | BR1 | Name: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol | Formula: | C22 H25 Br N2 O2 | SMILES: | BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3ccccc3 | InChi: | InChI=1S/C22H25BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16,20,26H,1-2,4,7-8,11,14H2/t20-/m0/s1 | Synonyms: | 1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form | Definition date: | 2013-02-14 | Last modified: | 2021-03-13 | Release date: | 2013-05-01 | Identifier: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol |
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![BRA BRA](https://data.pdbj.org/pdbjplus/data/cc/svg/BRA.svg) | BRA | Name: | 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine | Formula: | C35 H43 N7 O2 | SMILES: | O=C(Nc5cc4nc2cc(NC(=O)CCN1CCCC1)ccc2c(Nc3ccc(N(C)C)cc3)c4cc5)CCN6CCCC6 | InChi: | InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39) | Synonyms: | N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) | Definition date: | 2008-03-18 | Last modified: | 2021-03-13 | Identifier: | N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) |
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![0RM 0RM](https://data.pdbj.org/pdbjplus/data/cc/svg/0RM.svg) | 0RM | Name: | (2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C17 H22 N2 O7 S | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC | InChi: | InChI=1S/C17H22N2O7S/c1-17(2)12(16(23)24)19-14(27-17)11(15(21)22)18-13(20)10-8(25-3)6-5-7-9(10)26-4/h5-7,11-12,14,19H,1-4H3,(H,18,20)(H,21,22)(H,23,24)/t11-,12-,14+/m0/s1 | Synonyms: | METHICILLIN, hydroxylated form | Definition date: | 2012-05-02 | Last modified: | 2021-03-13 | Identifier: | (2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![BSC BSC](https://data.pdbj.org/pdbjplus/data/cc/svg/BSC.svg) | BSC | Name: | (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid | Formula: | C8 H18 N2 O3 S | SMILES: | CCCCS(=N)(=O)CCC(C(=O)O)N | InChi: | InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-,14+/m0/s1 | Synonyms: | L-BUTHIONINE-[S,R]-SULFOXIMINE | Definition date: | 2006-05-05 | Last modified: | 2021-03-13 | Identifier: | (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid |
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![BSO BSO](https://data.pdbj.org/pdbjplus/data/cc/svg/BSO.svg) | BSO | Name: | BIOTIN-D-SULFOXIDE | Formula: | C10 H16 N2 O4 S | SMILES: | O=S2CC1NC(=O)NC1C2CCCCC(=O)O | InChi: | InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1 | Synonyms: | 5-[(3AR,4R,6AS)-5-OXIDO-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID | Definition date: | 2005-09-19 | Last modified: | 2021-03-13 | Identifier: | 5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
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![1N0 1N0](https://data.pdbj.org/pdbjplus/data/cc/svg/1N0.svg) | 1N0 | Name: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione | Formula: | C14 H20 N2 O4 | SMILES: | O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O | InChi: | InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2 | Synonyms: | bis(maleimido)hexane, bound form | Definition date: | 2013-04-02 | Last modified: | 2021-03-13 | Release date: | 2013-06-19 | Identifier: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione |
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![1N7 1N7](https://data.pdbj.org/pdbjplus/data/cc/svg/1N7.svg) | 1N7 | Name: | CHAPSO | Formula: | C32 H59 N2 O8 S | SMILES: | O=S(=O)(O)CC(O)C[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | InChi: | InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 | Synonyms: | 2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium | Definition date: | 2013-04-04 | Last modified: | 2021-03-13 | Release date: | 2013-05-01 | Identifier: | 2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium |
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![BVX BVX](https://data.pdbj.org/pdbjplus/data/cc/svg/BVX.svg) | BVX | Name: | 3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C33 H36 N4 O6 | SMILES: | CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H36N4O6/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/h8,13-15,35H,2,7,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13?,27-14-,28-15- | Synonyms: | Biliverdine IX alpha, bound form | Definition date: | 2020-07-02 | Last modified: | 2021-03-13 | Release date: | 2020-10-28 | Identifier: | 3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![1OG 1OG](https://data.pdbj.org/pdbjplus/data/cc/svg/1OG.svg) | 1OG | Name: | 7-alkylidenecephalosporin DCM-1-10, bound form | Formula: | C16 H21 N O9 S | SMILES: | O=S1(=O)C(C(=O)OC(C)(C)C)C(C=NC(=C(C1)COC(=O)C)C(=O)O)C=O | InChi: | InChI=1S/C16H21NO9S/c1-9(19)25-7-11-8-27(23,24)13(15(22)26-16(2,3)4)10(6-18)5-17-12(11)14(20)21/h5-6,10,13H,7-8H2,1-4H3,(H,20,21)/b12-11-,17-5-/t10-,13+/m0/s1 | Synonyms: | (3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide | Definition date: | 2013-04-11 | Last modified: | 2021-03-13 | Release date: | 2013-12-04 | Identifier: | (3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide |
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![1OH 1OH](https://data.pdbj.org/pdbjplus/data/cc/svg/1OH.svg) | 1OH | Name: | 4-(1-methyl-1-phenylethyl)phenol | Formula: | C15 H16 O | SMILES: | Oc1ccc(cc1)C(c2ccccc2)(C)C | InChi: | InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 | Synonyms: | 2-(4'-Hydroxyphenyl)-2-phenylpropane | Definition date: | 2007-10-11 | Last modified: | 2021-03-13 | Identifier: | 4-(1-methyl-1-phenylethyl)phenol |
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![1PN 1PN](https://data.pdbj.org/pdbjplus/data/cc/svg/1PN.svg) | 1PN | Name: | prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate | Formula: | C13 H17 N O5 S | SMILES: | O=C(OCC=C)C1=CSC(N1)C(C=O)C(OC(=O)C)C | InChi: | InChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1 | Synonyms: | "(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE, Bound form" | Definition date: | 1999-12-02 | Last modified: | 2021-03-13 | Identifier: | prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate |
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