MI0
概要
| 表記: | (3R,4S)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methyl-pentanamide |
| 組成式: | C12 H22 F2 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 264.312 Da |
| 分子種別: | peptide-like |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methylpentanamide (non-preferred name) |
| OpenEye OEToolkits | 1.7.0 | (3R,4S)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methyl-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(NC)C(F)(F)C(O)C(N)CC1CCCCC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)C(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1 |
| SMILES | CACTVS | 3.370 | CNC(=O)C(F)(F)[CH](O)[CH](N)CC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(=O)C(C(C(CC1CCCCC1)N)O)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C12H22F2N2O2/c1-16-11(18)12(13,14)10(17)9(15)7-8-5-3-2-4-6-8/h8-10,17H,2-7,15H2,1H3,(H,16,18)/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | ZJXKKRMJDAUFQJ-VHSXEESVSA-N |
