![968 968](https://data.pdbj.org/pdbjplus/data/cc/svg/968.svg) | 968 | 表記: | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID | 組成式: | C19 H13 N O6 | SMILES: | O=C(O)c1ccccc1N(c2c3c(ccc2)ccc(O)c3)C(=O)C(=O)O | InChi: | InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26) | 別名: | COMPOUND 8B | 定義日: | 2003-03-17 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-[(carboxycarbonyl)(7-hydroxynaphthalen-1-yl)amino]benzoic acid |
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![C04 C04](https://data.pdbj.org/pdbjplus/data/cc/svg/C04.svg) | C04 | 表記: | (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 組成式: | C16 H15 N5 O7 S2 | SMILES: | O=C(O)CON=C(c1nc(sc1)N)C(=O)NC3C(=O)N2C(=C(C=C)CSC23)C(=O)O | InChi: | InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1 | 別名: | Cefixime | 定義日: | 2013-05-13 | 最終更新日: | 2021-03-01 | 公開日: | 2013-06-05 | 識別子(ID): | (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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![C1N C1N](https://data.pdbj.org/pdbjplus/data/cc/svg/C1N.svg) | C1N | 表記: | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-[3-FLUORO-1-(4-HYDROXYBENZYL)-2-OXOPROPYL]LEUCINAMIDE | 組成式: | C30 H40 F N3 O6 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)CF)Cc2ccc(O)cc2)CC(C)C)CC(C)C | InChi: | InChI=1S/C30H40FN3O6/c1-19(2)14-25(28(37)32-24(27(36)17-31)16-21-10-12-23(35)13-11-21)33-29(38)26(15-20(3)4)34-30(39)40-18-22-8-6-5-7-9-22/h5-13,19-20,24-26,35H,14-18H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1 | 別名: | CBZ-LEU-LEU-TYR-CH2F | 定義日: | 2005-04-19 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide |
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![C1Y C1Y](https://data.pdbj.org/pdbjplus/data/cc/svg/C1Y.svg) | C1Y | 表記: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol | 組成式: | C14 H21 N5 O | SMILES: | c12ncnc(c1ncc2CN3CC(O)C(CCC)C3)N | InChi: | InChI=1S/C14H21N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(10)17-8-18-14(13)15/h4,8-9,11,16,20H,2-3,5-7H2,1H3,(H2,15,17,18)/t9-,11-/m0/s1 | 別名: | 5'-deoxy-5'-Propyl-DADMe-Immucillin-A | 定義日: | 2017-09-11 | 最終更新日: | 2021-03-01 | 公開日: | 2018-09-12 | 識別子(ID): | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol |
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![C2G C2G](https://data.pdbj.org/pdbjplus/data/cc/svg/C2G.svg) | C2G | 表記: | [CYTIDINE-5'-PHOSPHATE] GLYCERYLPHOSPHORIC ACID ESTER | 組成式: | C12 H21 N3 O13 P2 | SMILES: | O=P(O)(OCC(O)CO)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O | InChi: | InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7+,9+,10+,11+/m0/s1 | 別名: | CYTIDINE 5'-DIPHOSPHOGLYCEROL | 定義日: | 2002-10-29 | 最終更新日: | 2021-03-01 | 識別子(ID): | 5'-O-[(S)-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
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![C3M C3M](https://data.pdbj.org/pdbjplus/data/cc/svg/C3M.svg) | C3M | 表記: | N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE | 組成式: | C20 H22 N2 O3 S | SMILES: | O=S(=O)(c2cc1ccccc1cc2)NCC(O)C(N)Cc3ccccc3 | InChi: | InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1 | 別名: | INHIBITOR OF THROMBIN | 定義日: | 2005-12-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide |
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![C5R C5R](https://data.pdbj.org/pdbjplus/data/cc/svg/C5R.svg) | C5R | 表記: | (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid | 組成式: | C31 H38 N2 O3 | SMILES: | CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)c1 | InChi: | InChI=1S/C31H38N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-10,12,16,18-19,26-27,32H,7,11,13-15,17H2,1-4H3,(H,33,36)(H,34,35)/t26-,27+,30+,31+/m0/s1 | 別名: | N-Dehydroabietoyl-L-Tryptophan | 定義日: | 2019-04-10 | 最終更新日: | 2021-03-01 | 公開日: | 2020-03-18 | 識別子(ID): | (2~{S})-2-[[(1~{R},4~{a}~{S},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid |
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![C6F C6F](https://data.pdbj.org/pdbjplus/data/cc/svg/C6F.svg) | C6F | 表記: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide | 組成式: | C29 H44 N8 O3 | SMILES: | CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5 | InChi: | InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34) | 別名: | gilteritinib | 定義日: | 2019-04-10 | 最終更新日: | 2021-03-01 | 公開日: | 2019-11-20 | 識別子(ID): | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide |
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![C7G C7G](https://data.pdbj.org/pdbjplus/data/cc/svg/C7G.svg) | C7G | 表記: | [(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | 組成式: | C25 H36 N10 O23 P4 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O)[CH]3O | InChi: | InChI=1S/C25H36N10O23P4/c26-19-11-21(30-4-28-19)34(6-32-11)23-16(39)13(36)8(53-23)1-51-61(46,47)58-62(48,49)52-2-9-14(37)17(40)25(55-9)56-18-15(38)10(3-50-60(44,45)57-59(41,42)43)54-24(18)35-7-33-12-20(27)29-5-31-22(12)35/h4-10,13-18,23-25,36-40H,1-3H2,(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)(H2,41,42,43)/t8-,9+,10-,13+,14-,15+,16+,17+,18+,23+,24+,25+/m1/s1 | 別名: | DIADPR | 定義日: | 2017-09-15 | 最終更新日: | 2021-03-01 | 公開日: | 2019-01-09 | 識別子(ID): | [(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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![C7R C7R](https://data.pdbj.org/pdbjplus/data/cc/svg/C7R.svg) | C7R | 表記: | 2'-deoxy-5'-O-thiophosphonocytidine | 組成式: | C9 H14 N3 O6 P S | SMILES: | P(S)(O)(OCC1OC(CC1O)N2C=CC(=NC2=O)N)=O | InChi: | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1 | 別名: | 2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 1) | 定義日: | 2016-04-28 | 最終更新日: | 2021-03-01 | 公開日: | 2016-06-22 | 識別子(ID): | 2'-deoxy-5'-O-thiophosphonocytidine |
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![C7S C7S](https://data.pdbj.org/pdbjplus/data/cc/svg/C7S.svg) | C7S | 表記: | 2'-deoxy-5'-O-thiophosphonocytidine | 組成式: | C9 H14 N3 O6 P S | SMILES: | P(=O)(O)(OCC1C(CC(O1)N2C=CC(=NC2=O)N)O)S | InChi: | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1 | 別名: | 2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 2) | 定義日: | 2016-04-28 | 最終更新日: | 2021-03-01 | 公開日: | 2016-06-22 | 識別子(ID): | 2'-deoxy-5'-O-thiophosphonocytidine |
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![C8V C8V](https://data.pdbj.org/pdbjplus/data/cc/svg/C8V.svg) | C8V | 表記: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide | 組成式: | C13 H23 N5 O7 S | SMILES: | O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O | InChi: | InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1 | 別名: | OPEN FORM - Zidebactam | 定義日: | 2017-09-19 | 最終更新日: | 2021-03-01 | 公開日: | 2018-08-01 | 識別子(ID): | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
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![C8Y C8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/C8Y.svg) | C8Y | 表記: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile | 組成式: | C7 H11 N3 O5 S | SMILES: | O=S(O)(=O)ONC1CCC(C#N)N(C=O)C1 | InChi: | InChI=1S/C7H11N3O5S/c8-3-7-2-1-6(4-10(7)5-11)9-15-16(12,13)14/h5-7,9H,1-2,4H2,(H,12,13,14)/t6-,7+/m1/s1 | 別名: | open form - WCK 4234 | 定義日: | 2017-09-19 | 最終更新日: | 2021-03-01 | 公開日: | 2018-08-01 | 識別子(ID): | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile |
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![C93 C93](https://data.pdbj.org/pdbjplus/data/cc/svg/C93.svg) | C93 | 表記: | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid | 組成式: | C13 H15 N O5 | SMILES: | O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O | InChi: | InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19) | 別名: | 3-(4-hydroxypiperidine-1-yl) phthalic acid | 定義日: | 2014-08-19 | 最終更新日: | 2021-03-01 | 公開日: | 2014-10-15 | 識別子(ID): | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid |
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![C9C C9C](https://data.pdbj.org/pdbjplus/data/cc/svg/C9C.svg) | C9C | 表記: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid | 組成式: | C10 H10 O5 | SMILES: | OCCOC(=O)c1ccc(cc1)C(O)=O | InChi: | InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13) | 別名: | monohydroxyethyl terephthalate | 定義日: | 2019-04-16 | 最終更新日: | 2021-03-01 | 公開日: | 2020-04-15 | 識別子(ID): | 4-(2-hydroxyethyloxycarbonyl)benzoic acid |
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![C9D C9D](https://data.pdbj.org/pdbjplus/data/cc/svg/C9D.svg) | C9D | 表記: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide | 組成式: | C12 H21 N5 O7 S | SMILES: | O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCC2)=O)(O)=O | InChi: | InChI=1S/C12H21N5O7S/c18-7-17-6-9(16-24-25(21,22)23)1-2-10(17)12(20)15-14-11(19)8-3-4-13-5-8/h7-10,13,16H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/t8-,9-,10+/m1/s1 | 別名: | open form - WCK 5153 | 定義日: | 2017-09-20 | 最終更新日: | 2021-03-01 | 公開日: | 2018-08-01 | 識別子(ID): | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
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![C9P C9P](https://data.pdbj.org/pdbjplus/data/cc/svg/C9P.svg) | C9P | 表記: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid | 組成式: | C17 H14 B N O8 S3 | SMILES: | O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3 | InChi: | InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21) | 別名: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID | 定義日: | 2007-12-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid |
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![CAC CAC](https://data.pdbj.org/pdbjplus/data/cc/svg/CAC.svg) | CAC | 表記: | CACODYLATE ION | 組成式: | C2 H6 As O2 | SMILES: | [O-][As](=O)(C)C | InChi: | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1 | 別名: | dimethylarsinate | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | dimethylarsinate |
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![CD4 CD4](https://data.pdbj.org/pdbjplus/data/cc/svg/CD4.svg) | CD4 | 表記: | (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate | 組成式: | C65 H126 O17 P2 | SMILES: | O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC | InChi: | InChI=1S/C65H126O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,74)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h59-61,66H,5-58H2,1-4H3,(H,71,72)(H,73,74)/t60-,61-/m1/s1 | 別名: | tetramyristoyl-cardiolipin | 定義日: | 2009-02-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate (non-preferred name) |
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![CD7 CD7](https://data.pdbj.org/pdbjplus/data/cc/svg/CD7.svg) | CD7 | 表記: | (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide | 組成式: | C12 H19 N5 O7 S | SMILES: | O=CN1C(CCC(/C1)=N)C(NNC(=O)C2CCN(OS(=O)(=O)O)C2)=O | InChi: | InChI=1S/C12H19N5O7S/c13-9-1-2-10(16(6-9)7-18)12(20)15-14-11(19)8-3-4-17(5-8)24-25(21,22)23/h7-8,10,13H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/b13-9-/t8-,10+/m1/s1 | 別名: | open form - WCK 5153 | 定義日: | 2017-09-20 | 最終更新日: | 2021-03-01 | 公開日: | 2018-08-01 | 識別子(ID): | (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide |
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![6F0 6F0](https://data.pdbj.org/pdbjplus/data/cc/svg/6F0.svg) | 6F0 | 表記: | 2-azanyl-6-fluoranyl-benzoic acid | 組成式: | C7 H6 F N O2 | SMILES: | O=C(O)c1c(F)cccc1N | InChi: | InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11) | 別名: | 6-fluoroanthranilate | 定義日: | 2014-02-06 | 最終更新日: | 2021-03-01 | 公開日: | 2014-04-23 | 識別子(ID): | 2-amino-6-fluorobenzoic acid |
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![6FP 6FP](https://data.pdbj.org/pdbjplus/data/cc/svg/6FP.svg) | 6FP | 表記: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde | 組成式: | C7 H5 N5 O2 | SMILES: | O=Cc2nc1c(N=C(N)NC1=O)nc2 | InChi: | InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14) | 別名: | 6-formylpterin | 定義日: | 2012-09-04 | 最終更新日: | 2021-03-01 | 公開日: | 2012-10-12 | 識別子(ID): | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde |
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![6G4 6G4](https://data.pdbj.org/pdbjplus/data/cc/svg/6G4.svg) | 6G4 | 表記: | 4-oxononanoyl lysine | 組成式: | C15 H28 N2 O4 | SMILES: | CCCCCC(=O)CCC(=O)NCCCC[CH](N)C(O)=O | InChi: | InChI=1S/C15H28N2O4/c1-2-3-4-7-12(18)9-10-14(19)17-11-6-5-8-13(16)15(20)21/h13H,2-11,16H2,1H3,(H,17,19)(H,20,21)/t13-/m0/s1 | 別名: | Nepsilon | 定義日: | 2016-05-12 | 最終更新日: | 2021-03-01 | 公開日: | 2017-05-03 | 識別子(ID): | (2~{S})-2-azanyl-6-(4-oxidanylidenenonanoylamino)hexanoic acid |
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![6GY 6GY](https://data.pdbj.org/pdbjplus/data/cc/svg/6GY.svg) | 6GY | 表記: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine | 組成式: | C29 H39 Cl N7 O2 P | SMILES: | c1(cnc(nc1Nc2c(P(C)(=O)C)cccc2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl | InChi: | InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34) | 別名: | Brigatinib | 定義日: | 2016-04-07 | 最終更新日: | 2021-03-01 | 公開日: | 2016-05-25 | 識別子(ID): | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine |
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![6HS 6HS](https://data.pdbj.org/pdbjplus/data/cc/svg/6HS.svg) | 6HS | 表記: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | 組成式: | C19 H36 N4 O8 | SMILES: | O(C2C(O)C(OC1OC(=CCC1N)CO)C(N)CC2N)C3OCC(O)(C(NC)C3O)C | InChi: | InChI=1S/C19H36N4O8/c1-19(27)7-28-18(13(26)16(19)23-2)31-15-11(22)5-10(21)14(12(15)25)30-17-9(20)4-3-8(6-24)29-17/h3,9-18,23-27H,4-7,20-22H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 | 別名: | 6'-hydroxysisomicin | 定義日: | 2012-09-03 | 最終更新日: | 2021-03-01 | 公開日: | 2013-04-03 | 識別子(ID): | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside |
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