![J9E J9E](https://data.pdbj.org/pdbjplus/data/cc/svg/J9E.svg) | J9E | Name: | 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide | Formula: | C20 H24 F2 N2 O | SMILES: | C(=O)(NC2CCC1(CCCCC1)CC2)c4cc3c(cc(cc3n4)F)F | InChi: | InChI=1S/C20H24F2N2O/c21-13-10-16(22)15-12-18(24-17(15)11-13)19(25)23-14-4-8-20(9-5-14)6-2-1-3-7-20/h10-12,14,24H,1-9H2,(H,23,25) | Definition date: | 2018-12-05 | Last modified: | 2018-12-21 | Release date: | 2018-12-26 | Identifier: | 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide |
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![AEA AEA](https://data.pdbj.org/pdbjplus/data/cc/svg/AEA.svg) | AEA | Name: | (2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETIC ACID | Formula: | C5 H10 N2 O3 S | SMILES: | NC(CSCC(=O)O)C(N)=O | InChi: | InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1 | Definition date: | 1999-08-25 | Last modified: | 2018-12-18 | Identifier: | {[(2S)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid |
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![HJG HJG](https://data.pdbj.org/pdbjplus/data/cc/svg/HJG.svg) | HJG | Name: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol | Formula: | C18 H18 Cl N3 O | SMILES: | c4cc(C3(c2n1cccc(C(C)(C)O)c1nn2)CC3)ccc4Cl | InChi: | InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | Definition date: | 2018-07-05 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol |
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![G5J G5J](https://data.pdbj.org/pdbjplus/data/cc/svg/G5J.svg) | G5J | Name: | 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine | Formula: | C11 H18 N5 O14 P3 | SMILES: | C3(=NC(c2c(n(C1OC(C(O)C1O)COP(O)(=O)OP(O)(=O)OP(=O)(O)OC)cn2)N3)=O)N | InChi: | InChI=1S/C11H18N5O14P3/c1-26-31(20,21)29-33(24,25)30-32(22,23)27-2-4-6(17)7(18)10(28-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2018-05-07 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine |
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![9UL 9UL](https://data.pdbj.org/pdbjplus/data/cc/svg/9UL.svg) | 9UL | Name: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole | Formula: | C13 H14 N2 | SMILES: | CN1CCCC1=C2C=Nc3ccccc23 | InChi: | InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+ | Definition date: | 2018-08-06 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole |
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![A8O A8O](https://data.pdbj.org/pdbjplus/data/cc/svg/A8O.svg) | A8O | Name: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile | Formula: | C20 H23 N3 O2 | SMILES: | C(N1CCC(CC1)O)C(c2cc(C)n(c2C)c3ccc(C#N)cc3)=O | InChi: | InChI=1S/C20H23N3O2/c1-14-11-19(20(25)13-22-9-7-18(24)8-10-22)15(2)23(14)17-5-3-16(12-21)4-6-17/h3-6,11,18,24H,7-10,13H2,1-2H3 | Definition date: | 2018-10-19 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile |
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![CGM CGM](https://data.pdbj.org/pdbjplus/data/cc/svg/CGM.svg) | CGM | Name: | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside | Formula: | C31 H51 N O9 | SMILES: | C1C(=O)OC(CC)C(C=C(C=CC(=O)C(C)CC(CC=O)C(C(C1O)C)OC2OC(C)C(C(C2O)N(C)C)O)C)C | InChi: | InChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1 | Definition date: | 2017-09-22 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside |
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![F97 F97](https://data.pdbj.org/pdbjplus/data/cc/svg/F97.svg) | F97 | Name: | N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | Formula: | C21 H26 F2 N8 | SMILES: | c21cc(ncc1cnn2C(C)C)Nc4cc(nc(N3CCC(C3)(F)F)n4)C5CCNC5 | InChi: | InChI=1S/C21H26F2N8/c1-13(2)31-17-8-18(25-10-15(17)11-26-31)28-19-7-16(14-3-5-24-9-14)27-20(29-19)30-6-4-21(22,23)12-30/h7-8,10-11,13-14,24H,3-6,9,12H2,1-2H3,(H,25,27,28,29)/t14-/m1/s1 | Definition date: | 2018-03-16 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine |
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![30I 30I](https://data.pdbj.org/pdbjplus/data/cc/svg/30I.svg) | 30I | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide | Formula: | C17 H23 N9 O2 | SMILES: | COc1ncc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N | InChi: | InChI=1S/C17H23N9O2/c1-28-17-21-8-10(9-22-17)11-14(26-6-4-2-3-5-7-26)24-13(18)12(23-11)15(27)25-16(19)20/h8-9H,2-7H2,1H3,(H2,18,24)(H4,19,20,25,27) | Definition date: | 2018-02-16 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide |
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![EJ2 EJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/EJ2.svg) | EJ2 | Name: | NI-FE REDUCED ACTIVE CENTER | Formula: | C3 H Fe N2 Ni O | SMILES: | [Ni][H+][Fe](C#N)(C#N)C#[O+] | InChi: | InChI=1S/2CN.CO.Fe.Ni/c3*1-2 | Definition date: | 2018-03-23 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (dicyano(oxidaniumylidynemethyl)ferrio)-nickelio-hydrogen(1+) |
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![32I 32I](https://data.pdbj.org/pdbjplus/data/cc/svg/32I.svg) | 32I | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide | Formula: | C18 H25 N9 O3 | SMILES: | COc1ncc(c(OC)n1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N | InChi: | InChI=1S/C18H25N9O3/c1-29-16-10(9-22-18(26-16)30-2)11-14(27-7-5-3-4-6-8-27)24-13(19)12(23-11)15(28)25-17(20)21/h9H,3-8H2,1-2H3,(H2,19,24)(H4,20,21,25,28) | Definition date: | 2018-02-16 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide |
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![ELQ ELQ](https://data.pdbj.org/pdbjplus/data/cc/svg/ELQ.svg) | ELQ | Name: | [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone | Formula: | C12 H14 F2 N2 O | SMILES: | CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2 | InChi: | InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3 | Definition date: | 2018-03-27 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone |
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![GOY GOY](https://data.pdbj.org/pdbjplus/data/cc/svg/GOY.svg) | GOY | Name: | di(piperidin-1-yl)methanone | Formula: | C11 H20 N2 O | SMILES: | O=C(N1CCCCC1)N2CCCCC2 | InChi: | InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2 | Definition date: | 2018-05-31 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | di(piperidin-1-yl)methanone |
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![27I 27I](https://data.pdbj.org/pdbjplus/data/cc/svg/27I.svg) | 27I | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide | Formula: | C16 H23 N9 O | SMILES: | Cn1cc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N | InChi: | InChI=1S/C16H23N9O/c1-24-9-10(8-20-24)11-14(25-6-4-2-3-5-7-25)22-13(17)12(21-11)15(26)23-16(18)19/h8-9H,2-7H2,1H3,(H2,17,22)(H4,18,19,23,26) | Definition date: | 2018-02-15 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide |
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![KHM KHM](https://data.pdbj.org/pdbjplus/data/cc/svg/KHM.svg) | KHM | Name: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid | Formula: | C20 H20 N4 O4 | SMILES: | c1ccccc1c4cc(O)n2c(c(cn2)C(NC3CCCCC3C(O)=O)=O)n4 | InChi: | InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1 | Definition date: | 2018-12-07 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid |
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![28I 28I](https://data.pdbj.org/pdbjplus/data/cc/svg/28I.svg) | 28I | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide | Formula: | C16 H21 N7 O2 | SMILES: | NC(=N)NC(=O)c1nc(c2cocc2)c(nc1N)N3CCCCCC3 | InChi: | InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-5-8-25-9-10)14(21-13)23-6-3-1-2-4-7-23/h5,8-9H,1-4,6-7H2,(H2,17,21)(H4,18,19,22,24) | Definition date: | 2018-02-15 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide |
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![GQA GQA](https://data.pdbj.org/pdbjplus/data/cc/svg/GQA.svg) | GQA | Name: | 1-methyl-3-oxidanyl-pyridine-2-thione | Formula: | C6 H7 N O S | SMILES: | CN1C=CC=C(O)C1=S | InChi: | InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3 | Definition date: | 2018-05-31 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 1-methyl-3-oxidanyl-pyridine-2-thione |
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![GQJ GQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/GQJ.svg) | GQJ | Name: | methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate | Formula: | C11 H13 N O5 | SMILES: | COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2 | InChi: | InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1 | Definition date: | 2018-05-31 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate |
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![GQM GQM](https://data.pdbj.org/pdbjplus/data/cc/svg/GQM.svg) | GQM | Name: | 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol | Formula: | C10 H10 N2 O2 | SMILES: | COc1ccc(c(O)c1)c2cc[nH]n2 | InChi: | InChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12) | Definition date: | 2018-05-31 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol |
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![GQV GQV](https://data.pdbj.org/pdbjplus/data/cc/svg/GQV.svg) | GQV | Name: | 1-methyl-3-oxidanyl-pyridin-2-one | Formula: | C6 H7 N O2 | SMILES: | CN1C=CC=C(O)C1=O | InChi: | InChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3 | Definition date: | 2018-05-31 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 1-methyl-3-oxidanyl-pyridin-2-one |
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![H28 H28](https://data.pdbj.org/pdbjplus/data/cc/svg/H28.svg) | H28 | Name: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione | Formula: | C23 H18 Cl2 F N3 O2 | SMILES: | Fc1c(Cl)cccc1[CH]2[CH]3[CH](C=NC3=O)N(CC4CC4)[C]25C(=O)Nc6cc(Cl)ccc56 | InChi: | InChI=1S/C23H18Cl2FN3O2/c24-12-6-7-14-16(8-12)28-22(31)23(14)19(13-2-1-3-15(25)20(13)26)18-17(9-27-21(18)30)29(23)10-11-4-5-11/h1-3,6-9,11,17-19H,4-5,10H2,(H,28,31)/t17-,18+,19-,23+/m0/s1 | Definition date: | 2018-11-07 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione |
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![94I 94I](https://data.pdbj.org/pdbjplus/data/cc/svg/94I.svg) | 94I | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide | Formula: | C16 H21 N9 O | SMILES: | NC(=N)NC(=O)c1nc(c2cncnc2)c(nc1N)N3CCCCCC3 | InChi: | InChI=1S/C16H21N9O/c17-13-12(15(26)24-16(18)19)22-11(10-7-20-9-21-8-10)14(23-13)25-5-3-1-2-4-6-25/h7-9H,1-6H2,(H2,17,23)(H4,18,19,24,26) | Definition date: | 2018-02-16 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide |
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![CVT CVT](https://data.pdbj.org/pdbjplus/data/cc/svg/CVT.svg) | CVT | Name: | 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide | Formula: | C21 H20 N2 O4 | SMILES: | COc1cc(cc(OC)c1OC)C(=O)NN=Cc2cccc3ccccc23 | InChi: | InChI=1S/C21H20N2O4/c1-25-18-11-16(12-19(26-2)20(18)27-3)21(24)23-22-13-15-9-6-8-14-7-4-5-10-17(14)15/h4-13H,1-3H3,(H,23,24)/b22-13+ | Definition date: | 2017-12-08 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide |
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![CVW CVW](https://data.pdbj.org/pdbjplus/data/cc/svg/CVW.svg) | CVW | Name: | 2-(5-methyl-1~{H}-indol-3-yl)ethanamine | Formula: | C11 H14 N2 | SMILES: | Cc1ccc2[nH]cc(CCN)c2c1 | InChi: | InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | Definition date: | 2017-12-08 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 2-(5-methyl-1~{H}-indol-3-yl)ethanamine |
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![JRA JRA](https://data.pdbj.org/pdbjplus/data/cc/svg/JRA.svg) | JRA | Name: | 3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C33 H36 N4 O6 | SMILES: | C[CH]1[CH](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O | 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/h7-8,13-15,19-20,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-/t19-,20+/m1/s1 | Definition date: | 2018-09-18 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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