Q63
概要
| 表記: | ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate |
| 組成式: | C9 H12 F N O4 |
| 電荷: | 0 |
| 化学式量: | 217.194 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 | ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate |
| OpenEye OEToolkits | 2.0.7 | ethyl (2~{S},3~{R})-2-fluoranyl-3-(5-methyl-1,2-oxazol-3-yl)-3-oxidanyl-propanoate |
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 | Cc1cc(no1)C(O)C(F)C(=O)OCC |
| InChI | InChI | 1.03 | InChI=1S/C9H12FNO4/c1-3-14-9(13)7(10)8(12)6-4-5(2)15-11-6/h4,7-8,12H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | IXCNLWFKOZONMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H](F)[C@H](O)c1cc(C)on1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](F)[CH](O)c1cc(C)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)[C@H]([C@@H](c1cc(on1)C)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(C(c1cc(on1)C)O)F |
