N-[(1R,2S)-2-Hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]carbamic Acid 1,1-Dimethylethyl Ester (Darunavir Impurity)

分析物名称

N-[(1R,2S)-2-Hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]carbamic Acid 1,1-Dimethylethyl ester

CAS登记号

1005324-46-8

分子式

C25 H35 N3 O7 S

分子量

521.63

精确质量测定

521.2196

SMILES

CC(C)CN(C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]

InChI

InChI=1S/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m1/s1

IUPAC

tert-butyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]carbamate

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat