U7F
概要
| 表記: | [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid |
| 組成式: | C13 H17 F3 N O4 P |
| 電荷: | 0 |
| 化学式量: | 339.247 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C13H17F3NO4P/c1-8(2)7-11(22(19,20)21)12(18)17-10-5-3-9(4-6-10)13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | ORECNCXKBPLBGJ-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C(=O)Nc1ccc(cc1)C(F)(F)F)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)Nc1ccc(cc1)C(F)(F)F)P(=O)(O)O |
