| 7QP | 表記: | (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid | 組成式: | C16 H25 N2 O7 P | SMILES: | Oc1c(CNC2CC(CCC2C)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C16H25N2O7P/c1-9-3-4-11(16(20)21)5-14(9)18-7-13-12(8-25-26(22,23)24)6-17-10(2)15(13)19/h6,9,11,14,18-19H,3-5,7-8H2,1-2H3,(H,20,21)(H2,22,23,24)/t9-,11-,14+/m1/s1 | 定義日: | 2021-08-17 | 最終更新日: | 2024-09-27 | 公開日: | 2021-08-25 | 識別子(ID): | (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid |
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| NOP | 表記: | PYRIDOXAL-5'-PHOSPHATE-N-OXIDE | 組成式: | C8 H10 N O7 P | SMILES: | [O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O | InChi: | InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15) | 定義日: | 1999-07-08 | 最終更新日: | 2024-09-27 | 識別子(ID): | (4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-3-yl)methyl dihydrogen phosphate |
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| NOQ | 表記: | (1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE | 組成式: | C17 H26 N2 O4 S | SMILES: | O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC2 | InChi: | InChI=1S/C17H26N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1 | 定義日: | 2005-12-22 | 最終更新日: | 2024-09-27 | 識別子(ID): | (1R,2R)-N-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide |
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| NOR | 表記: | CYCLOHEXYL-NORSTATINE | 組成式: | C13 H25 N O3 | SMILES: | O=C(OC(C)C)C(O)C(N)CC1CCCCC1 | InChi: | InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2024-09-27 | 識別子(ID): | propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate |
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| NOT | 表記: | 6-azido-L-norleucine | 組成式: | C6 H12 N4 O2 | SMILES: | [N-]=[N+]=N/CCCCC(N)C(=O)O | InChi: | InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1 | 別名: | AZIDONORLEUCINE | 定義日: | 2009-05-08 | 最終更新日: | 2024-09-27 | 識別子(ID): | 6-azido-L-norleucine |
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| NOU | 表記: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid | 組成式: | C9 H13 N3 O2 | SMILES: | O=C(O)C(N)CCNc1ccccn1 | InChi: | InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1 | 定義日: | 2022-04-07 | 最終更新日: | 2024-09-27 | 公開日: | 2023-08-30 | 識別子(ID): | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid |
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| NOW | 表記: | Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide | 組成式: | C21 H29 N5 O2 | SMILES: | O=C(c1cc(nn1C)C(C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C | InChi: | InChI=1S/C21H29N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-9,11,13,16,22H,10,12H2,1-5H3,(H,23,27)(H,24,28)/b22-9+/t16-/m0/s1 | 定義日: | 2009-05-22 | 最終更新日: | 2024-09-27 | 識別子(ID): | Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide |
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| 7R0 | 表記: | 2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | 組成式: | C17 H17 N5 O4 | SMILES: | N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O | InChi: | InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1 | 別名: | CHROMOPHORE (HIS-TYR-GLY) | 定義日: | 2021-08-21 | 最終更新日: | 2024-09-27 | 公開日: | 2021-09-01 | 識別子(ID): | 2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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| 7R6 | 表記: | 2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | 組成式: | C17 H14 N4 O4 | SMILES: | OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3 | InChi: | InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+ | 別名: | RED CHROMOPHORE (HIS, TYR, GLY) | 定義日: | 2021-08-21 | 最終更新日: | 2024-09-27 | 公開日: | 2021-09-01 | 識別子(ID): | 2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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| NPB | 表記: | 3-NITROPHENYLBORONIC ACID | 組成式: | C6 H6 B N O4 | SMILES: | [O-][N+](=O)c1cc(B(O)O)ccc1 | InChi: | InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H | 定義日: | 2001-11-19 | 最終更新日: | 2024-09-27 | 識別子(ID): | (3-nitrophenyl)boronic acid |
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| NPH | 表記: | CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE | 組成式: | C17 H16 N4 O3 S | SMILES: | O=C(O)C(N)CSCC(=O)Nc2cc1cccnc1c3ncccc23 | InChi: | InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2024-09-27 | 識別子(ID): | S-[2-oxo-2-(1,10-phenanthrolin-5-ylamino)ethyl]-L-cysteine |
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| NQ0 | 表記: | 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C18 H23 Cl2 N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24) | 定義日: | 2022-08-17 | 最終更新日: | 2024-09-27 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| 862 | 表記: | 1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one | 組成式: | C23 H25 N9 O2 | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4ccc(cc4)C(C)=O)c5c(N)ncnc25 | InChi: | InChI=1S/C23H25N9O2/c1-3-19(34)30-10-4-5-17(11-30)32-23-20(22(24)25-13-26-23)21(28-32)18-12-31(29-27-18)16-8-6-15(7-9-16)14(2)33/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H2,24,25,26)/t17-/m1/s1 | 定義日: | 2018-11-28 | 最終更新日: | 2024-09-27 | 公開日: | 2019-02-27 | 識別子(ID): | 1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one |
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| NQ6 | 表記: | N-(pyridin-2-yl)-L-asparagine | 組成式: | C9 H11 N3 O3 | SMILES: | O=C(Nc1ccccn1)CC(N)C(=O)O | InChi: | InChI=1S/C9H11N3O3/c10-6(9(14)15)5-8(13)12-7-3-1-2-4-11-7/h1-4,6H,5,10H2,(H,14,15)(H,11,12,13)/t6-/m0/s1 | 定義日: | 2022-04-07 | 最終更新日: | 2024-09-27 | 公開日: | 2023-08-30 | 識別子(ID): | N-(pyridin-2-yl)-L-asparagine |
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| NQ9 | 表記: | N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide | 組成式: | C21 H29 Cl2 N3 O3 | SMILES: | N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl | InChi: | InChI=1S/C21H29Cl2N3O3/c22-13-19(27)25-14-15-7-11-26(12-8-15)20(28)21(9-5-17(24)6-10-21)29-18-3-1-16(23)2-4-18/h1-4,15,17H,5-14,24H2,(H,25,27)/t17-,21+ | 定義日: | 2022-08-17 | 最終更新日: | 2024-09-27 | 公開日: | 2023-09-20 | 識別子(ID): | ~{N}-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
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| 868 | 表記: | S-[2-[3-[[(2S)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2R)-2-azanylpropanethioate | 組成式: | C14 H28 N3 O8 P S | SMILES: | C[CH](N)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C14H28N3O8PS/c1-9(15)13(21)27-7-6-16-10(18)4-5-17-12(20)11(19)14(2,3)8-25-26(22,23)24/h9,11,19H,4-8,15H2,1-3H3,(H,16,18)(H,17,20)(H2,22,23,24)/t9-,11-/m1/s1 | 定義日: | 2022-03-02 | 最終更新日: | 2024-09-27 | 公開日: | 2022-07-13 | 識別子(ID): | ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2~{R})-2-azanylpropanethioate |
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| NQG | 表記: | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE | 組成式: | C28 H39 N9 O7 | SMILES: | O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N | InChi: | InChI=1S/C28H39N9O7/c1-2-44-23(39)14-22(38)27(43)36-19(9-5-11-29)25(41)35-20(10-6-12-33-28(31)32)26(42)37-21(24(30)40)13-16-15-34-18-8-4-3-7-17(16)18/h3-4,7-8,15,19-22,34,38H,2,5-6,9-10,12-14H2,1H3,(H2,30,40)(H,35,41)(H,36,43)(H,37,42)(H4,31,32,33)/t19-,20-,21-,22-/m0/s1 | 定義日: | 2006-11-09 | 最終更新日: | 2024-09-27 | 識別子(ID): | 5-azanylidyne-N-[(2S)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-L-norvalyl-L-arginyl-L-tryptophanamide |
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| NQI | 表記: | N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE | 組成式: | C28 H40 N8 O7 | SMILES: | O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CC=C | InChi: | InChI=1S/C28H40N8O7/c1-3-8-19(35-27(42)22(37)14-23(38)43-4-2)25(40)34-20(11-7-12-32-28(30)31)26(41)36-21(24(29)39)13-16-15-33-18-10-6-5-9-17(16)18/h3,5-6,9-10,15,19-22,33,37H,1,4,7-8,11-14H2,2H3,(H2,29,39)(H,34,40)(H,35,42)(H,36,41)(H4,30,31,32)/t19-,20-,21-,22+/m0/s1 | 定義日: | 2006-11-09 | 最終更新日: | 2024-09-27 | 識別子(ID): | N~2~-[(2S)-2-{[(2R)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-L-arginyl-L-tryptophanamide |
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| 86F | 表記: | (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide | 組成式: | C12 H19 N3 O S | SMILES: | CSC(=N)N1CC[CH](C1)C(=O)NCCCC#C | InChi: | InChI=1S/C12H19N3OS/c1-3-4-5-7-14-11(16)10-6-8-15(9-10)12(13)17-2/h1,10,13H,4-9H2,2H3,(H,14,16)/b13-12-/t10-/m0/s1 | 定義日: | 2023-07-10 | 最終更新日: | 2024-09-27 | 公開日: | 2024-01-31 | 識別子(ID): | methyl (3~{S})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioate |
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| NQL | 表記: | 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C20 H29 Cl N4 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3 | InChi: | InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26) | 定義日: | 2022-08-17 | 最終更新日: | 2024-09-27 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide |
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| 86M | 表記: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde | 組成式: | C15 H13 N3 O3 | SMILES: | c2cn3ccnc3c(COc1cnc(OC)cc1C=O)c2 | InChi: | InChI=1S/C15H13N3O3/c1-20-14-7-12(9-19)13(8-17-14)21-10-11-3-2-5-18-6-4-16-15(11)18/h2-9H,10H2,1H3 | 定義日: | 2017-01-09 | 最終更新日: | 2024-09-27 | 公開日: | 2017-02-22 | 識別子(ID): | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde |
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| 86N | 表記: | (2S)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid | 組成式: | C15 H17 N6 O10 P | SMILES: | N[CH](CCC(=O)O[P](O)(=O)OCc1oc(n2cnc3c(N)ncnc23)c(O)c1O)C(O)=O | InChi: | InChI=1S/C15H17N6O10P/c16-6(15(25)26)1-2-8(22)31-32(27,28)29-3-7-10(23)11(24)14(30-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-6,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-/m0/s1 | 定義日: | 2021-10-04 | 最終更新日: | 2024-09-27 | 公開日: | 2021-10-27 | 識別子(ID): | (2~{S})-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid |
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| NQS | 表記: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione | 組成式: | C12 H10 O3 S | SMILES: | O=C2c1c(cccc1)C(=O)C(SCCO)=C2 | InChi: | InChI=1S/C12H10O3S/c13-5-6-16-11-7-10(14)8-3-1-2-4-9(8)12(11)15/h1-4,7,13H,5-6H2 | 定義日: | 2014-04-24 | 最終更新日: | 2024-09-27 | 公開日: | 2014-11-05 | 識別子(ID): | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione |
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| NQU | 表記: | 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C21 H28 Cl2 N2 O3 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Oc3ccc(Cl)cc3 | InChi: | InChI=1S/C21H28Cl2N2O3/c22-14-19(26)24-15-16-8-12-25(13-9-16)20(27)21(10-2-1-3-11-21)28-18-6-4-17(23)5-7-18/h4-7,16H,1-3,8-15H2,(H,24,26) | 定義日: | 2022-08-17 | 最終更新日: | 2024-09-27 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| NR0 | 表記: | N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide | 組成式: | C13 H17 N7 O4 | SMILES: | OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21 | InChi: | InChI=1S/C13H17N7O4/c14-7-3-24-4-8(7)20(2-10(22)23)9(21)1-19-6-18-11-12(15)16-5-17-13(11)19/h5-8H,1-4,14H2,(H,22,23)(H2,15,16,17)/t7-,8-/m0/s1 | 定義日: | 2022-04-07 | 最終更新日: | 2024-09-27 | 公開日: | 2023-04-05 | 識別子(ID): | N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine |
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