L4U
概要
| 表記: | (3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide |
| 組成式: | C13 H20 N2 O |
| 電荷: | 0 |
| 化学式量: | 220.311 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 | (3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3,4-dimethyl-~{N}-(4-methylpyridin-3-yl)pentanamide |
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 | O=C(Nc1cnccc1C)CC(C)C(C)C |
| InChI | InChI | 1.06 | InChI=1S/C13H20N2O/c1-9(2)11(4)7-13(16)15-12-8-14-6-5-10(12)3/h5-6,8-9,11H,7H2,1-4H3,(H,15,16)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | PPQIRWKGFHIKDH-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](C)CC(=O)Nc1cnccc1C |
| SMILES | CACTVS | 3.385 | CC(C)[CH](C)CC(=O)Nc1cnccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C[C@H](C)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CC(C)C(C)C |
