F3M
概要
| 表記: | methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate |
| 組成式: | C6 H10 F3 N O3 |
| 電荷: | 0 |
| 化学式量: | 201.144 Da |
| 分子種別: | L-PEPTIDE LINKING |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 11.02 | methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate |
| OpenEye OEToolkits | 1.6.1 | methyl (3S,4R)-4-azanyl-5,5,5-trifluoro-3-hydroxy-pentanoate |
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 | 11.02 | O=C(OC)CC(O)C(N)C(F)(F)F |
| SMILES_CANONICAL | CACTVS | 3.352 | COC(=O)C[C@H](O)[C@@H](N)C(F)(F)F |
| SMILES | CACTVS | 3.352 | COC(=O)C[CH](O)[CH](N)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)CC(C(C(F)(F)F)N)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10F3NO3/c1-13-4(12)2-3(11)5(10)6(7,8)9/h3,5,11H,2,10H2,1H3/t3-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | ZVARBPCHAKEWAX-WVZVXSGGSA-N |
