![RWP RWP](https://data.pdbj.org/pdbjplus/data/cc/svg/RWP.svg) | RWP | Name: | methyl 4-[(trifluoroacetyl)amino]benzoate | Formula: | C10 H8 F3 N O3 | SMILES: | c1cc(ccc1NC(=O)C(F)(F)F)C(=O)OC | InChi: | InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16) | Definition date: | 2020-02-28 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | methyl 4-[(trifluoroacetyl)amino]benzoate |
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![PQT PQT](https://data.pdbj.org/pdbjplus/data/cc/svg/PQT.svg) | PQT | Name: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid | Formula: | C11 H12 Cl N O2 | SMILES: | OC(=O)[CH]1CCN(C1)c2ccccc2Cl | InChi: | InChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1 | Definition date: | 2020-04-27 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid |
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![PUE PUE](https://data.pdbj.org/pdbjplus/data/cc/svg/PUE.svg) | PUE | Name: | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid | Formula: | C11 H13 N O2 | SMILES: | OC(=O)[CH]1CCN(C1)c2ccccc2 | InChi: | InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)/t9-/m1/s1 | Definition date: | 2020-04-27 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid |
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![O7A O7A](https://data.pdbj.org/pdbjplus/data/cc/svg/O7A.svg) | O7A | Name: | N-methyl-L-allothreonine | Formula: | C5 H11 N O3 | SMILES: | CNC(C(=O)O)C(O)C | InChi: | InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4-/m0/s1 | Definition date: | 2019-06-17 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | N-methyl-L-allothreonine |
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![AF7 AF7](https://data.pdbj.org/pdbjplus/data/cc/svg/AF7.svg) | AF7 | Name: | (3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid | Formula: | C32 H48 O5 | SMILES: | C45C(C3C(C=C2C1C(C)C(CCC1(C)CCC2(C)C3(C)CC4)C)=O)(C)CCC(C5(C)C(O)=O)OC(=O)C | InChi: | InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1 | Definition date: | 2017-07-14 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | (3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid |
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![T1R T1R](https://data.pdbj.org/pdbjplus/data/cc/svg/T1R.svg) | T1R | Name: | (1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | Formula: | C30 H40 N2 O8 S | SMILES: | c1c(ccc(c1)OC)S(=O)(N(CC(C)C)CC(O)C(NC(OC3C4CC2C(OCC2C3)O4)=O)Cc5ccccc5)=O | InChi: | InChI=1S/C30H40N2O8S/c1-19(2)16-32(41(35,36)23-11-9-22(37-3)10-12-23)17-26(33)25(13-20-7-5-4-6-8-20)31-30(34)40-27-14-21-18-38-29-24(21)15-28(27)39-29/h4-12,19,21,24-29,33H,13-18H2,1-3H3,(H,31,34)/t21-,24-,25+,26-,27-,28+,29-/m1/s1 | Definition date: | 2020-01-31 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | (1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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![T2R T2R](https://data.pdbj.org/pdbjplus/data/cc/svg/T2R.svg) | T2R | Name: | (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate | Formula: | C33 H44 N4 O8 S | SMILES: | c1(NC(C)C)oc2c(n1)ccc(c2)S(=O)(N(CC(O)C(NC(OC4CC3C5C(OC3)OC4C5)=O)Cc6ccccc6)CC(C)C)=O | InChi: | InChI=1S/C33H44N4O8S/c1-19(2)16-37(46(40,41)23-10-11-25-28(14-23)44-32(35-25)34-20(3)4)17-27(38)26(12-21-8-6-5-7-9-21)36-33(39)45-29-13-22-18-42-31-24(22)15-30(29)43-31/h5-11,14,19-20,22,24,26-27,29-31,38H,12-13,15-18H2,1-4H3,(H,34,35)(H,36,39)/t22-,24-,26-,27+,29-,30+,31-/m0/s1 | Definition date: | 2020-01-31 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate |
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![U4Y U4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/U4Y.svg) | U4Y | Name: | (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid | Formula: | C23 H28 N6 O7 S | SMILES: | c1(N)ncnc2c1ncn2C4OC(CSCCC(NC(=O)[C@H]=[C@H]C3C=CC(C=C3)O)C(O)=O)C(C4O)O | InChi: | InChI=1S/C23H28N6O7S/c24-20-17-21(26-10-25-20)29(11-27-17)22-19(33)18(32)15(36-22)9-37-8-7-14(23(34)35)28-16(31)6-3-12-1-4-13(30)5-2-12/h1-6,10-15,18-19,22,30,32-33H,7-9H2,(H,28,31)(H,34,35)(H2,24,25,26)/b6-3+/t12-,13?,14-,15+,18+,19+,22+/m0/s1 | Definition date: | 2020-04-22 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid (non-preferred name) |
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![23T 23T](https://data.pdbj.org/pdbjplus/data/cc/svg/23T.svg) | 23T | Name: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE | Formula: | C10 H17 N2 O13 P3 | SMILES: | CC1=CN([CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 | Definition date: | 2006-07-11 | Last modified: | 2020-05-02 | Identifier: | (hydroxy-phosphonooxy-phosphoryl) [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate |
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![L2J L2J](https://data.pdbj.org/pdbjplus/data/cc/svg/L2J.svg) | L2J | Name: | N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide | Formula: | C25 H23 F3 N2 O5 S | SMILES: | c3cc2N(c1ccccc1Oc2cc3)C4CCCC(C4O)NS(c5ccc(cc5)OC(F)(F)F)(=O)=O | InChi: | InChI=1S/C25H23F3N2O5S/c26-25(27,28)35-16-12-14-17(15-13-16)36(32,33)29-18-6-5-9-21(24(18)31)30-19-7-1-3-10-22(19)34-23-11-4-2-8-20(23)30/h1-4,7-8,10-15,18,21,24,29,31H,5-6,9H2/t18-,21+,24+/m1/s1 | Definition date: | 2019-01-31 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide |
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![JTQ JTQ](https://data.pdbj.org/pdbjplus/data/cc/svg/JTQ.svg) | JTQ | Name: | 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine | Formula: | C13 H10 Cl2 N4 | SMILES: | Cn1cc(c2ccc(Cl)c(Cl)c12)c3cncnc3N | InChi: | InChI=1S/C13H10Cl2N4/c1-19-5-9(8-4-17-6-18-13(8)16)7-2-3-10(14)11(15)12(7)19/h2-6H,1H3,(H2,16,17,18) | Definition date: | 2019-03-27 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine |
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![CU0 CU0](https://data.pdbj.org/pdbjplus/data/cc/svg/CU0.svg) | CU0 | Name: | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate | Formula: | C5 H12 O10 P2 | SMILES: | O[CH]1CO[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]1O | InChi: | InChI=1S/C5H12O10P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4+,5-/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate |
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![CUU CUU](https://data.pdbj.org/pdbjplus/data/cc/svg/CUU.svg) | CUU | Name: | [(2~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | Formula: | C10 H15 N5 O9 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)C[CH]3O | InChi: | InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1 | Definition date: | 2019-05-15 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | [(2~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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![N7J N7J](https://data.pdbj.org/pdbjplus/data/cc/svg/N7J.svg) | N7J | Name: | (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide | Formula: | C7 H7 N3 O4 S | SMILES: | c1c(ccc2c1N/C(O2)=N/O)S(=O)(=O)N | InChi: | InChI=1S/C7H7N3O4S/c8-15(12,13)4-1-2-6-5(3-4)9-7(10-11)14-6/h1-3,11H,(H,9,10)(H2,8,12,13) | Definition date: | 2019-05-06 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide |
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![N7S N7S](https://data.pdbj.org/pdbjplus/data/cc/svg/N7S.svg) | N7S | Name: | 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide | Formula: | C11 H17 N3 O5 S | SMILES: | c1cc(cc(c1O)NC(NCCCCO)=O)S(N)(=O)=O | InChi: | InChI=1S/C11H17N3O5S/c12-20(18,19)8-3-4-10(16)9(7-8)14-11(17)13-5-1-2-6-15/h3-4,7,15-16H,1-2,5-6H2,(H2,12,18,19)(H2,13,14,17) | Definition date: | 2019-05-06 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide |
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![N7V N7V](https://data.pdbj.org/pdbjplus/data/cc/svg/N7V.svg) | N7V | Name: | 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide | Formula: | C15 H13 N3 O6 S | SMILES: | c12c(ccc(c1)S(=O)(=O)N)OC(N2C(c3ccc(cc3)[N+]([O-])=O)C)=O | InChi: | InChI=1S/C15H13N3O6S/c1-9(10-2-4-11(5-3-10)18(20)21)17-13-8-12(25(16,22)23)6-7-14(13)24-15(17)19/h2-9H,1H3,(H2,16,22,23)/t9-/m0/s1 | Definition date: | 2019-05-06 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide |
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![N84 N84](https://data.pdbj.org/pdbjplus/data/cc/svg/N84.svg) | N84 | Name: | 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide | Formula: | C13 H14 N4 O4 S | SMILES: | c1cc(cc(c1O)NC(NCc2ccncc2)=O)S(N)(=O)=O | InChi: | InChI=1S/C13H14N4O4S/c14-22(20,21)10-1-2-12(18)11(7-10)17-13(19)16-8-9-3-5-15-6-4-9/h1-7,18H,8H2,(H2,14,20,21)(H2,16,17,19) | Definition date: | 2019-05-06 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide |
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![N8A N8A](https://data.pdbj.org/pdbjplus/data/cc/svg/N8A.svg) | N8A | Name: | 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide | Formula: | C14 H16 N4 O4 S | SMILES: | c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N)=O | InChi: | InChI=1S/C14H16N4O4S/c15-23(21,22)11-4-5-13(19)12(9-11)18-14(20)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,19H,6,8H2,(H2,15,21,22)(H2,17,18,20) | Definition date: | 2019-05-06 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide |
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![ONY ONY](https://data.pdbj.org/pdbjplus/data/cc/svg/ONY.svg) | ONY | Name: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide | Formula: | C22 H22 N4 O3 | SMILES: | CN(CCc1noc(n1)C)C(=O)Cc2ccc(cc2)Oc3cc(c(cc3)C#N)C | InChi: | InChI=1S/C22H22N4O3/c1-15-12-20(9-6-18(15)14-23)28-19-7-4-17(5-8-19)13-22(27)26(3)11-10-21-24-16(2)29-25-21/h4-9,12H,10-11,13H2,1-3H3 | Definition date: | 2019-07-01 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide |
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![DYF DYF](https://data.pdbj.org/pdbjplus/data/cc/svg/DYF.svg) | DYF | Name: | [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate | Formula: | C19 H36 N3 O8 P | SMILES: | CCCCCC=CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C19H36N3O8P/c1-4-5-6-7-8-9-15(23)20-12-13-21-16(24)10-11-22-18(26)17(25)19(2,3)14-30-31(27,28)29/h8-9,17,25H,4-7,10-14H2,1-3H3,(H,20,23)(H,21,24)(H,22,26)(H2,27,28,29)/b9-8+/t17-/m0/s1 | Definition date: | 2019-09-19 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
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![QFY QFY](https://data.pdbj.org/pdbjplus/data/cc/svg/QFY.svg) | QFY | Name: | {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Formula: | C24 H32 Fe N6 O2 S | SMILES: | C12NC(=O)NC1CSC2CCCCC(NCC[N+]43Cc6[n+]([Fe]3[n+]5c(C4)cccc5)cccc6)=O | InChi: | InChI=1S/C24H32N6O2S.Fe/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19 | Definition date: | 2019-10-25 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) |
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![QG1 QG1](https://data.pdbj.org/pdbjplus/data/cc/svg/QG1.svg) | QG1 | Name: | {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) | Formula: | C24 H32 Fe N6 O2 S | SMILES: | C12NC(=O)NC1CSC2CCCCC(NCC[N+]5(Cc3ncccc3)Cc4cccc[n+]4[Fe]5)=O | InChi: | InChI=1S/C24H32N6O2S.Fe/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19 | Definition date: | 2019-10-25 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) |
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![QG4 QG4](https://data.pdbj.org/pdbjplus/data/cc/svg/QG4.svg) | QG4 | Name: | {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) | Formula: | C24 H33 Fe N9 O2 S | SMILES: | O=C1NC2C(N1)C(SC2)CCCCC(NCC[N+]43Cc6[n+]([Fe]3([n+]5c(C4)cccc5)N=[N+]=N)cccc6)=O | InChi: | InChI=1S/C24H32N6O2S.Fe.HN3/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19 | Definition date: | 2019-10-25 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) |
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![QG7 QG7](https://data.pdbj.org/pdbjplus/data/cc/svg/QG7.svg) | QG7 | Name: | N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | Formula: | C24 H32 N6 O2 S | SMILES: | C12C(NC(=O)N1)CSC2CCCCC(NCCN(Cc3ncccc3)Cc4ccccn4)=O | InChi: | InChI=1S/C24H32N6O2S/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19/h3-8,11-12,20-21,23H,1-2,9-10,13-17H2,(H,27,31)(H2,28,29,32)/t20-,21-,23-/m0/s1 | Definition date: | 2019-10-25 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
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![QHY QHY](https://data.pdbj.org/pdbjplus/data/cc/svg/QHY.svg) | QHY | Name: | 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid | Formula: | C21 H28 N6 O3 | SMILES: | c1cc(c(cc1)N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(O)=O)OCC | InChi: | InChI=1S/C21H28N6O3/c1-2-30-18-6-4-3-5-17(18)25-11-13-27(14-12-25)21-23-15-22-20(24-21)26-9-7-16(8-10-26)19(28)29/h3-6,15-16H,2,7-14H2,1H3,(H,28,29) | Definition date: | 2019-11-04 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid |
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