![7RF 7RF](https://data.pdbj.org/pdbjplus/data/cc/svg/7RF.svg) | 7RF | 表記: | (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate | 組成式: | C19 H17 N5 O2 | SMILES: | NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N | InChi: | InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24) | 定義日: | 2021-10-14 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate |
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![BJ6 BJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/BJ6.svg) | BJ6 | 表記: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid | 組成式: | C18 H15 N O3 | SMILES: | OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3 | InChi: | InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21) | 定義日: | 2022-03-29 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid |
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![ET7 ET7](https://data.pdbj.org/pdbjplus/data/cc/svg/ET7.svg) | ET7 | 表記: | ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | 組成式: | C23 H19 F N2 O2 S | SMILES: | CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13 | InChi: | InChI=1S/C23H19FN2O2S/c1-2-26-19-12-11-17(25-22(27)13-15-7-9-16(24)10-8-15)14-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-12,14H,2,13H2,1H3,(H,25,27) | 定義日: | 2022-01-12 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide |
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![9IR 9IR](https://data.pdbj.org/pdbjplus/data/cc/svg/9IR.svg) | 9IR | 表記: | (4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene | 組成式: | C10 H16 | SMILES: | CC1=CCC(CC1)C(C)=C | InChi: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 | 別名: | R-(+)-limonene | 定義日: | 2021-10-18 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene |
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![9IU 9IU](https://data.pdbj.org/pdbjplus/data/cc/svg/9IU.svg) | 9IU | 表記: | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene | 組成式: | C10 H16 | SMILES: | CC1=CCC(CC1)C(C)=C | InChi: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1 | 別名: | S-(-)-limonene | 定義日: | 2021-10-18 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene |
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![9IX 9IX](https://data.pdbj.org/pdbjplus/data/cc/svg/9IX.svg) | 9IX | 表記: | 2-methyl-5-(propan-2-yl)benzene-1,4-diol | 組成式: | C10 H14 O2 | SMILES: | CC(C)c1cc(O)c(C)cc1O | InChi: | InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3 | 別名: | Thymoquinone | 定義日: | 2021-10-18 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 2-methyl-5-(propan-2-yl)benzene-1,4-diol |
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![9J9 9J9](https://data.pdbj.org/pdbjplus/data/cc/svg/9J9.svg) | 9J9 | 表記: | (6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one | 組成式: | C10 H14 O2 | SMILES: | O=C1C=C(C(C)C)C(O)=CC1C | InChi: | InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-7,12H,1-3H3 | 定義日: | 2021-10-18 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one |
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![90I 90I](https://data.pdbj.org/pdbjplus/data/cc/svg/90I.svg) | 90I | 表記: | benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate | 組成式: | C29 H36 N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccccc4 | InChi: | InChI=1S/C29H36N4O6/c34-25(28(37)31-15-13-20-8-3-1-4-9-20)23(18-22-14-16-30-26(22)35)32-27(36)24-12-7-17-33(24)29(38)39-19-21-10-5-2-6-11-21/h1-6,8-11,22-25,34H,7,12-19H2,(H,30,35)(H,31,37)(H,32,36)/t22-,23-,24-,25+/m0/s1 | 別名: | (phenylmethyl) (2S)-2-[[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate | 定義日: | 2021-11-10 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (phenylmethyl) (2~{S})-2-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate |
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![90X 90X](https://data.pdbj.org/pdbjplus/data/cc/svg/90X.svg) | 90X | 表記: | (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide | 組成式: | C29 H34 Cl2 N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)COc3ccc(Cl)cc3Cl)C(=O)NCCc4ccccc4 | InChi: | InChI=1S/C29H34Cl2N4O6/c30-20-8-9-24(21(31)16-20)41-17-25(36)35-14-4-7-23(35)28(39)34-22(15-19-11-13-32-27(19)38)26(37)29(40)33-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,22-23,26,37H,4,7,10-15,17H2,(H,32,38)(H,33,40)(H,34,39)/t19-,22-,23-,26+/m0/s1 | 別名: | (2S)-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide | 定義日: | 2021-11-10 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S})-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide |
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![C9I C9I](https://data.pdbj.org/pdbjplus/data/cc/svg/C9I.svg) | C9I | 表記: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide | 組成式: | C23 H23 N5 O3 | SMILES: | CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34 | InChi: | InChI=1S/C23H23N5O3/c1-2-18(17-9-5-7-14-6-3-4-8-16(14)17)27-22(29)20-13-28(23(30)31-20)15-10-11-19(21(24)25)26-12-15/h3-12,18,20H,2,13H2,1H3,(H3,24,25)(H,27,29)/t18-,20+/m0/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
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![CI5 CI5](https://data.pdbj.org/pdbjplus/data/cc/svg/CI5.svg) | CI5 | 表記: | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide | 組成式: | C24 H24 N4 O3 | SMILES: | CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34 | InChi: | InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1 | 定義日: | 2021-12-14 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
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![U9P U9P](https://data.pdbj.org/pdbjplus/data/cc/svg/U9P.svg) | U9P | 表記: | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide | 組成式: | C23 H26 N8 O2 | SMILES: | CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC | InChi: | InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1 | 定義日: | 2022-08-12 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide |
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![O1F O1F](https://data.pdbj.org/pdbjplus/data/cc/svg/O1F.svg) | O1F | 表記: | (5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 組成式: | C12 H11 N O4 S2 | SMILES: | COc1cc(C=C2SC(=S)NC2=O)c(OC)cc1O | InChi: | InChI=1S/C12H11NO4S2/c1-16-8-5-7(14)9(17-2)3-6(8)4-10-11(15)13-12(18)19-10/h3-5,14H,1-2H3,(H,13,15,18)/b10-4- | 定義日: | 2022-08-25 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
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![DJ5 DJ5](https://data.pdbj.org/pdbjplus/data/cc/svg/DJ5.svg) | DJ5 | 表記: | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide | 組成式: | C27 H52 N3 O8 P | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CCCCCCC/C=CCCCCCC | InChi: | InChI=1S/C27H52N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h9-10,25,33H,4-8,11-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/b10-9-/t25-/m0/s1 | 定義日: | 2021-11-30 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
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![HNU HNU](https://data.pdbj.org/pdbjplus/data/cc/svg/HNU.svg) | HNU | 表記: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide | 組成式: | C10 H17 N3 O3 | SMILES: | CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C | InChi: | InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1 | 定義日: | 2022-02-07 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide |
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![HQX HQX](https://data.pdbj.org/pdbjplus/data/cc/svg/HQX.svg) | HQX | 表記: | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide | 組成式: | C11 H17 Br N2 O2 | SMILES: | CC[CH](C)[CH](NC(C)=O)C(=O)NCC#CBr | InChi: | InChI=1S/C11H17BrN2O2/c1-4-8(2)10(14-9(3)15)11(16)13-7-5-6-12/h8,10H,4,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,10-/m0/s1 | 定義日: | 2022-02-07 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide |
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![HWC HWC](https://data.pdbj.org/pdbjplus/data/cc/svg/HWC.svg) | HWC | 表記: | 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one | 組成式: | C6 H7 Br N2 O | SMILES: | CN1C=C(Br)C=C(N)C1=O | InChi: | InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3 | 定義日: | 2022-02-07 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one |
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![E3J E3J](https://data.pdbj.org/pdbjplus/data/cc/svg/E3J.svg) | E3J | 表記: | ~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide | 組成式: | C13 H18 N2 O2 S | SMILES: | Sc1ccccc1C(=O)NCCN2CCOCC2 | InChi: | InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16) | 定義日: | 2021-12-23 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | ~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide |
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![VVB VVB](https://data.pdbj.org/pdbjplus/data/cc/svg/VVB.svg) | VVB | 表記: | bis(oxidanyl)vanadium | 組成式: | H2 O2 V | SMILES: | O[V]O | InChi: | InChI=1S/2H2O.V/h2*1H2 | 定義日: | 2022-05-13 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | bis(oxidanyl)vanadium |
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![IIS IIS](https://data.pdbj.org/pdbjplus/data/cc/svg/IIS.svg) | IIS | 表記: | 4-iodanylpyridin-2-amine | 組成式: | C5 H5 I N2 | SMILES: | Nc1cc(I)ccn1 | InChi: | InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8) | 定義日: | 2022-03-22 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | 4-iodanylpyridin-2-amine |
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![IIV IIV](https://data.pdbj.org/pdbjplus/data/cc/svg/IIV.svg) | IIV | 表記: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide | 組成式: | C9 H12 Br N3 O3 | SMILES: | CC(=O)N[CH](CC(N)=O)C(=O)NCC#CBr | InChi: | InChI=1S/C9H12BrN3O3/c1-6(14)13-7(5-8(11)15)9(16)12-4-2-3-10/h7H,4-5H2,1H3,(H2,11,15)(H,12,16)(H,13,14)/t7-/m0/s1 | 定義日: | 2022-03-22 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide |
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![IIY IIY](https://data.pdbj.org/pdbjplus/data/cc/svg/IIY.svg) | IIY | 表記: | (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide | 組成式: | C7 H10 N2 O2 | SMILES: | CC(=O)NCC(=O)N=CC=C | InChi: | InChI=1S/C7H10N2O2/c1-3-4-8-7(11)5-9-6(2)10/h3-4H,1,5H2,2H3,(H,9,10)/b8-4+ | 定義日: | 2022-03-22 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide |
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![IJ3 IJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/IJ3.svg) | IJ3 | 表記: | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide | 組成式: | C10 H19 Br N2 O2 | SMILES: | CC(C)[CH](NC(C)=O)C(=O)NCCCBr | InChi: | InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1 | 定義日: | 2022-03-22 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide |
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![IJF IJF](https://data.pdbj.org/pdbjplus/data/cc/svg/IJF.svg) | IJF | 表記: | (4-bromanylpyridin-2-yl)methanol | 組成式: | C6 H6 Br N O | SMILES: | OCc1cc(Br)ccn1 | InChi: | InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2 | 定義日: | 2022-03-22 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (4-bromanylpyridin-2-yl)methanol |
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![IJI IJI](https://data.pdbj.org/pdbjplus/data/cc/svg/IJI.svg) | IJI | 表記: | (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide | 組成式: | C11 H19 N5 O2 | SMILES: | CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C | InChi: | InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1 | 定義日: | 2022-03-22 | 最終更新日: | 2022-11-18 | 公開日: | 2022-11-23 | 識別子(ID): | (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide |
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