H2D
概要
| 表記: | (2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide |
| 組成式: | C13 H14 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 230.262 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 | (2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-~{N}-(1,2-oxazol-3-yl)-2-phenyl-butanamide |
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 | n1occc1NC(C(c2ccccc2)CC)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O2/c1-2-11(10-6-4-3-5-7-10)13(16)14-12-8-9-17-15-12/h3-9,11H,2H2,1H3,(H,14,15,16)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | SZRQFFYFLMVKTJ-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C(=O)Nc1ccon1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC[CH](C(=O)Nc1ccon1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H](c1ccccc1)C(=O)Nc2ccon2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(c1ccccc1)C(=O)Nc2ccon2 |
