A1AAT
概要
| 表記: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide |
| 組成式: | C20 H24 N4 O2 |
| 電荷: | 0 |
| 化学式量: | 352.43 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(6-azanyl-5-methyl-pyridin-3-yl)-2-[(2~{R},5~{S})-5-methyl-2-phenyl-piperidin-1-yl]-2-oxidanylidene-ethanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC1CCC(c2ccccc2)N(C1)C(=O)C(=O)Nc1cc(C)c(N)nc1 |
| InChI | InChI | 1.06 | InChI=1S/C20H24N4O2/c1-13-8-9-17(15-6-4-3-5-7-15)24(12-13)20(26)19(25)23-16-10-14(2)18(21)22-11-16/h3-7,10-11,13,17H,8-9,12H2,1-2H3,(H2,21,22)(H,23,25)/t13-,17+/m0/s1 |
| InChIKey | InChI | 1.06 | NMFOHKBBJRAXGJ-SUMWQHHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC[C@@H](N(C1)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH]1CC[CH](N(C1)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1N)NC(=O)C(=O)N2C[C@H](CC[C@@H]2c3ccccc3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1N)NC(=O)C(=O)N2CC(CCC2c3ccccc3)C |
