APF
概要
| 表記: | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) |
| 組成式: | C12 H12 F3 N O2 |
| 電荷: | 0 |
| 化学式量: | 259.224 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]acetamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenyl-butan-2-yl]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 | 10.04 | FC(F)(F)C(=O)C(NC(=O)C)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH](Cc1ccccc1)C(=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | JTIIYPHJIDENCW-JTQLQIEISA-N |
