2742706-71-2
中文名称
NIRMATRELVIR中间体
英文名称
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, methyl ester, (1R,2S,5S)-
CAS
2742706-71-2
分子式
C17H25F3N2O4
分子量
378.39
MOL 文件
2742706-71-2.mol
2742706-71-2 结构式
基本信息
中文别名
NIRMATRELVIR中间体(1R,2S,5S)-3-((S)-3,3-二甲基-2-(2,2,2-三氟乙酰氨基)丁酰基)-6,6-二甲基-3-氮杂双环[3.1.0]己烷-2-羧酸酯
METHYL (1R,2S,5S)-3-((S)-3,3-DIMETHYL-2-(2,2,2-TRIFLUOROACETAMIDO)BUTANOYL)-6,6-DIMETHYL-3-AZABICYCL
英文别名
methyl (1R,2S,5S)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate(1R, 2S, 5S) - 3 - ((s) - 3,3-dimethyl-2 - (2,2,2-trifluoroacetamido) butyryl) - 6,6-dimethyl-3-azabicyclo [3.1.0] hexane-2-carboxylate
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, methyl ester, (1R,2S,5S)-
所属类别
医药中间体：杂环化合物物理化学性质
沸点450.7±45.0 °C(Predicted)
密度1.230±0.06 g/cm3(Predicted)
酸度系数(pKa)10.26±0.46(Predicted)
InChIInChI=1S/C17H25F3N2O4/c1-15(2,3)11(21-14(25)17(18,19)20)12(23)22-7-8-9(16(8,4)5)10(22)13(24)26-6/h8-11H,7H2,1-6H3,(H,21,25)/t8-,9-,10-,11+/m0/s1
InChIKeyGJHCWCVNORDLJM-XWLWVQCSSA-N
SMILES[C@@]12([H])[C@@]([H])(C1(C)C)CN(C(=O)[C@@H](NC(C(F)(F)F)=O)C(C)(C)C)[C@@H]2C(OC)=O