![QJJ QJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QJJ.svg) | QJJ | 表記: | N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide | 組成式: | C15 H17 F N4 O2 S | SMILES: | C(NC1CC1C32N=C(N)SCC2COC3)(=O)c4ccc(cn4)F | InChi: | InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10-,12-,15-/m0/s1 | 定義日: | 2019-11-05 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide |
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![OH1 OH1](https://data.pdbj.org/pdbjplus/data/cc/svg/OH1.svg) | OH1 | 表記: | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide | 組成式: | C15 H19 N3 O2 | SMILES: | C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2 | InChi: | InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18) | 定義日: | 2019-06-24 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide |
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![OH4 OH4](https://data.pdbj.org/pdbjplus/data/cc/svg/OH4.svg) | OH4 | 表記: | {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol | 組成式: | C14 H18 N2 O2 | SMILES: | n2c(CCC(c1ccccc1)OC)nc(c2)CO | InChi: | InChI=1S/C14H18N2O2/c1-18-13(11-5-3-2-4-6-11)7-8-14-15-9-12(10-17)16-14/h2-6,9,13,17H,7-8,10H2,1H3,(H,15,16)/t13-/m0/s1 | 定義日: | 2019-06-24 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol |
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![QJM QJM](https://data.pdbj.org/pdbjplus/data/cc/svg/QJM.svg) | QJM | 表記: | N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide | 組成式: | C15 H17 F N4 O2 S | SMILES: | C1C(C1NC(=O)c2ccc(cn2)F)C34C(COC3)CSC(=N4)N | InChi: | InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10+,12+,15-/m0/s1 | 定義日: | 2019-11-05 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide |
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![OH7 OH7](https://data.pdbj.org/pdbjplus/data/cc/svg/OH7.svg) | OH7 | 表記: | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide | 組成式: | C10 H17 N3 O2 | SMILES: | C(NC(C)=O)CCCc1ncc(CO)n1 | InChi: | InChI=1S/C10H17N3O2/c1-8(15)11-5-3-2-4-10-12-6-9(7-14)13-10/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13) | 定義日: | 2019-06-24 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide |
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![QJP QJP](https://data.pdbj.org/pdbjplus/data/cc/svg/QJP.svg) | QJP | 表記: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide | 組成式: | C15 H23 N3 O2 S | SMILES: | O=C(C1CC1C32COCC3CSC(N)=N2)NCC4C(C)C4 | InChi: | InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1 | 定義日: | 2019-11-05 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide |
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![QJV QJV](https://data.pdbj.org/pdbjplus/data/cc/svg/QJV.svg) | QJV | 表記: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide | 組成式: | C14 H23 N3 O2 S | SMILES: | O=C(C3C(C12C(CSC(=N1)N)COC2)C3)NCCCC | InChi: | InChI=1S/C14H23N3O2S/c1-2-3-4-16-12(18)10-5-11(10)14-8-19-6-9(14)7-20-13(15)17-14/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11+,14-/m0/s1 | 定義日: | 2019-11-05 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide |
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![OWY OWY](https://data.pdbj.org/pdbjplus/data/cc/svg/OWY.svg) | OWY | 表記: | 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide | 組成式: | C31 H39 N3 O2 | SMILES: | CCN(CC)C(c1ccc(cc1)C(c2cccc(c2)O)N3C(CN(C(C3)C)Cc4ccccc4)C)=O | InChi: | InChI=1S/C31H39N3O2/c1-5-32(6-2)31(36)27-17-15-26(16-18-27)30(28-13-10-14-29(35)19-28)34-21-23(3)33(20-24(34)4)22-25-11-8-7-9-12-25/h7-19,23-24,30,35H,5-6,20-22H2,1-4H3/t23-,24+,30-/m1/s1 | 定義日: | 2019-07-15 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide |
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![OHG OHG](https://data.pdbj.org/pdbjplus/data/cc/svg/OHG.svg) | OHG | 表記: | (2-methyl-1H-imidazol-4-yl)methanol | 組成式: | C5 H8 N2 O | SMILES: | Cc1nc(cn1)CO | InChi: | InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7) | 定義日: | 2019-06-25 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | (2-methyl-1H-imidazol-4-yl)methanol |
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![OHJ OHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OHJ.svg) | OHJ | 表記: | (2-butyl-1H-imidazol-4-yl)methanol | 組成式: | C8 H14 N2 O | SMILES: | C(c1cnc(CCCC)n1)O | InChi: | InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10) | 定義日: | 2019-06-25 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | (2-butyl-1H-imidazol-4-yl)methanol |
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![QK7 QK7](https://data.pdbj.org/pdbjplus/data/cc/svg/QK7.svg) | QK7 | 表記: | (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine | 組成式: | C21 H31 N5 O S | SMILES: | C1C(C1C)COC(C2CC2C54CN(c3ncccn3)CC5CSC(N)=N4)(C)C | InChi: | InChI=1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1 | 定義日: | 2019-11-06 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
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![QKA QKA](https://data.pdbj.org/pdbjplus/data/cc/svg/QKA.svg) | QKA | 表記: | (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide | 組成式: | C19 H26 N6 O S | SMILES: | C5C(CNC(=O)C1CC1C34CN(c2ncccn2)CC3CSC(=N4)N)C5C | InChi: | InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1 | 定義日: | 2019-11-06 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide |
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![OHV OHV](https://data.pdbj.org/pdbjplus/data/cc/svg/OHV.svg) | OHV | 表記: | benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate | 組成式: | C16 H21 N3 O3 | SMILES: | C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2 | InChi: | InChI=1S/C16H21N3O3/c20-11-14-10-18-15(19-14)8-4-5-9-17-16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,10,20H,4-5,8-9,11-12H2,(H,17,21)(H,18,19) | 定義日: | 2019-06-25 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate |
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![Q54 Q54](https://data.pdbj.org/pdbjplus/data/cc/svg/Q54.svg) | Q54 | 表記: | (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid | 組成式: | C24 H26 Cl N O3 | SMILES: | c5c(Cl)cc4CCCC2(COc1ccc(cc1N(C2)CC3CCC3)C(O)=O)c4c5 | InChi: | InChI=1S/C24H26ClNO3/c25-19-7-8-20-17(11-19)5-2-10-24(20)14-26(13-16-3-1-4-16)21-12-18(23(27)28)6-9-22(21)29-15-24/h6-9,11-12,16H,1-5,10,13-15H2,(H,27,28)/t24-/m0/s1 | 定義日: | 2019-09-23 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid |
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![Q57 Q57](https://data.pdbj.org/pdbjplus/data/cc/svg/Q57.svg) | Q57 | 表記: | (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid | 組成式: | C25 H28 Cl N O4 | SMILES: | c5c(Cl)cc4c(C2(COc1ccc(C(O)C(O)=O)cc1N(C2)CC3CCC3)CCC4)c5 | InChi: | InChI=1S/C25H28ClNO4/c26-19-7-8-20-17(11-19)5-2-10-25(20)14-27(13-16-3-1-4-16)21-12-18(23(28)24(29)30)6-9-22(21)31-15-25/h6-9,11-12,16,23,28H,1-5,10,13-15H2,(H,29,30)/t23-,25+/m1/s1 | 定義日: | 2019-09-23 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid |
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![OJG OJG](https://data.pdbj.org/pdbjplus/data/cc/svg/OJG.svg) | OJG | 表記: | N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide | 組成式: | C16 H21 N3 O2 | SMILES: | C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2 | InChi: | InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19) | 定義日: | 2019-06-26 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide |
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![OJJ OJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OJJ.svg) | OJJ | 表記: | methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate | 組成式: | C17 H23 N3 O3 | SMILES: | OCc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2 | InChi: | InChI=1S/C17H23N3O3/c1-23-17(22)20(12-14-7-3-2-4-8-14)10-6-5-9-16-18-11-15(13-21)19-16/h2-4,7-8,11,21H,5-6,9-10,12-13H2,1H3,(H,18,19) | 定義日: | 2019-06-26 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate |
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![OJM OJM](https://data.pdbj.org/pdbjplus/data/cc/svg/OJM.svg) | OJM | 表記: | ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate | 組成式: | C9 H14 N2 O3 | SMILES: | c1c(nc(CCC(=O)OCC)n1)CO | InChi: | InChI=1S/C9H14N2O3/c1-2-14-9(13)4-3-8-10-5-7(6-12)11-8/h5,12H,2-4,6H2,1H3,(H,10,11) | 定義日: | 2019-06-26 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate |
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![OJP OJP](https://data.pdbj.org/pdbjplus/data/cc/svg/OJP.svg) | OJP | 表記: | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide | 組成式: | C11 H17 N3 O2 | SMILES: | c1c(nc(CCCCNC(/C=C)=O)n1)CO | InChi: | InChI=1S/C11H17N3O2/c1-2-11(16)12-6-4-3-5-10-13-7-9(8-15)14-10/h2,7,15H,1,3-6,8H2,(H,12,16)(H,13,14) | 定義日: | 2019-06-26 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide |
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![OJY OJY](https://data.pdbj.org/pdbjplus/data/cc/svg/OJY.svg) | OJY | 表記: | 5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline | 組成式: | C9 H15 N3 O3 | SMILES: | C(c1nc(CO)cn1)CCC(C(=O)O)N | InChi: | InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1 | 定義日: | 2019-06-26 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | 5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline |
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![OK4 OK4](https://data.pdbj.org/pdbjplus/data/cc/svg/OK4.svg) | OK4 | 表記: | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide | 組成式: | C19 H32 N6 O5 | SMILES: | C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)CCCc1nc(CO)cn1 | InChi: | InChI=1S/C19H32N6O5/c1-10(2)16(17(20)28)25-19(30)14(24-18(29)11(3)22-12(4)27)6-5-7-15-21-8-13(9-26)23-15/h8,10-11,14,16,26H,5-7,9H2,1-4H3,(H2,20,28)(H,21,23)(H,22,27)(H,24,29)(H,25,30)/t11-,14-,16-/m0/s1 | 定義日: | 2019-06-26 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide |
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![AW6 AW6](https://data.pdbj.org/pdbjplus/data/cc/svg/AW6.svg) | AW6 | 表記: | 4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide | 組成式: | C20 H12 Cl N O6 S | SMILES: | N(S(=O)(=O)c1ccc(cc1)Cl)c4cc3C(c2ccccc2C(c3c(c4O)O)=O)=O | InChi: | InChI=1S/C20H12ClNO6S/c21-10-5-7-11(8-6-10)29(27,28)22-15-9-14-16(20(26)19(15)25)18(24)13-4-2-1-3-12(13)17(14)23/h1-9,22,25-26H | 定義日: | 2018-11-27 | 最終更新日: | 2019-12-06 | 公開日: | 2019-12-11 | 識別子(ID): | 4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide |
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![RSP RSP](https://data.pdbj.org/pdbjplus/data/cc/svg/RSP.svg) | RSP | 表記: | 4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2(1H)-thione | 組成式: | C9 H14 N3 O7 P S | SMILES: | NC1=NC(=S)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(21)11-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H2,10,11,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1 | 定義日: | 2010-01-11 | 最終更新日: | 2019-12-05 | 識別子(ID): | [(2R,3S,4R,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
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![M5W M5W](https://data.pdbj.org/pdbjplus/data/cc/svg/M5W.svg) | M5W | 表記: | 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide | 組成式: | C15 H20 N4 O2 | SMILES: | COc1cccc(c1)c2nn(c(N)c2C(N)=O)C(C)(C)C | InChi: | InChI=1S/C15H20N4O2/c1-15(2,3)19-13(16)11(14(17)20)12(18-19)9-6-5-7-10(8-9)21-4/h5-8H,16H2,1-4H3,(H2,17,20) | 定義日: | 2019-10-03 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | 5-azanyl-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide |
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![N1W N1W](https://data.pdbj.org/pdbjplus/data/cc/svg/N1W.svg) | N1W | 表記: | (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid | 組成式: | C30 H41 N7 O7 | SMILES: | CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](CO)Cc3ccccc3 | InChi: | InChI=1S/C30H41N7O7/c1-17(2)24(26(40)33-20(16-38)14-18-6-4-3-5-7-18)36-27(41)25(22-12-13-32-29(31)34-22)37-30(44)35-23(28(42)43)15-19-8-10-21(39)11-9-19/h3-11,17,20,22-25,38-39H,12-16H2,1-2H3,(H,33,40)(H,36,41)(H,42,43)(H3,31,32,34)(H2,35,37,44)/t20-,22-,23+,24-,25-/m0/s1 | 定義日: | 2019-11-06 | 最終更新日: | 2019-11-29 | 公開日: | 2019-12-04 | 識別子(ID): | (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid |
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