HCID67407042

benzyl(4S,5S)-5-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-2,2-dimethyl-4-{4-[(trifluoroacetyl)oxy]benzyl}-1,3-oxazolidine-3-carboxylate

benzyl (4S,5S)-2,2-dimethyl-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]-4-[[4-(2,2,2-trifluoroacetyl)oxyphenyl]methyl]-1,3-oxazolidine-3-carboxylate

C36H41F3N2O7670.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@@H]1OC(C)(C)N(C(=O)OCc2ccccc2)[C@H]1Cc1ccc(OC(=O)C(F)(F)F)cc1
InChIKey: VPVJYYKVJLQIRB-BKHJTQGXSA-N
分子式: C36H41F3N2O7
平均分子量: 670.7 g/mol
单同位素质量: 670.28658614

COMPUTED

结构计算性质

已同步

XLogP: 8
极性表面积: 103 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 14
重原子: 48
形式电荷: 0
复杂度: 1,060

ALIASES

名称与别名

共 3 条

benzyl(4S,5S)-5-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-2,2-dimethyl-4-{4-[(trifluoroacetyl)oxy]benzyl}-1,3-oxazolidine-3-carboxylateSCHEMBL2436637benzyl (4S,5S)-5-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-2,2-dimethyl-4-{4-[(trifluoroacetyl)oxy]benzyl}-1,3-oxazolidine-3-carboxylate

REACTIONS