benzyl (2S)-2-amino-3-(4-methanesulfonylphenyl)propanoate hydrochloride 基本信息
| 中文名称 | benzyl (2S)-2-amino-3-(4-methanesulfonylphenyl)propanoate hydrochloride |
|---|---|
| 中文同义词 | 立他司特杂质DW;立他司特杂质49;(S)-2-氨基-3-(4-(甲基磺酰基)苯基)丙酸苄酯 |
| 英文名称 | benzyl (2S)-2-amino-3-(4-methanesulfonylphenyl)propanoate hydrochloride |
| 英文同义词 | (S)-benzyl 2-amino-3-(4-(methylsulfonyl)phenyl)propanoate hy;benzyl (2S)-2-amino-3-(4-methanesulfonylphenyl)propanoate hydrochloride;benzyl (2S)-2-amino-3-(4-methanesulfonylphenyl)propanoate;L-Phenylalanine, 4-(methylsulfonyl)-, phenylmethyl ester;benzyl (S)-2-amino-3-(4-(methylsulfonyl)phenyl)propanoate hydrochloride;(S)-benzyl 2-amino-3-(4-(methylsulfonyl)phenyl)propanoate hydrochloride;Lifitegrast Impurity DW;Lifitegrast Impurity 49 |
| CAS号 | 1865726-28-8 |
| 分子式 | C17H19NO4S |
| 分子量 | 333.4 |
| EINECS号 | |
| 相关类别 | 氨基酸;杂质对照品 |
| Mol文件 | 1865726-28-8.mol |
| 结构式 |  |
benzyl (2S)-2-amino-3-(4-methanesulfonylphenyl)propanoate hydrochloride 性质
| 沸点 | 518.0±50.0 °C(Predicted) |
|---|---|
| 密度 | 1.256±0.06 g/cm3(Predicted) |
| 酸度系数(pKa) | 6.47±0.33(Predicted) |
| InChI | InChI=1S/C17H19NO4S/c1-23(20,21)15-9-7-13(8-10-15)11-16(18)17(19)22-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3/t16-/m0/s1 |
| InChIKey | UKIWRNOAQYPTME-INIZCTEOSA-N |
| SMILES | C(OCC1=CC=CC=C1)(=O)[C@H](CC1=CC=C(S(C)(=O)=O)C=C1)N |