Crystal structure and absolute configuration of (3S,4aS,8aS)-N-tert-butyl-2-[(S)-3-(2-chloro-4-nitro­benzamido)-2-hy­droxy­prop­yl]deca­hydro­isoquinoline-3-carboxamide and (3S,4aS,8aS)-N-tert-butyl-2-{(S)-2-[(S)-1-(2-chloro-4-nitro­benzoyl)pyrrolidin-2-yl]-2-hy­droxy­eth­yl}deca­hydro­iso­quinoline-3-carboxamide

Acta Crystallographica Section E: Crystallographic Communications

Mitchell, D.A.¹  Maxson, T.¹  Gray, D.L.²  Bertke, J.A.² 

[1] Department of Chemistry, University of Illinois, 345 Roger Adams Lab, 600 South Mathews Avenue, Urbana, IL 61801, USA;University of Illinois, School of Chemical Sciences, Box 59-1, 505 South Mathews Avenue, Urbana, Illinois 61801, USA

关键词: CRYSTAL STRUCTURE;    CHIRAL CRYSTAL;    ABSOLUTE CONFIGURATION;    NELFINAVIR;    HIV PROTEASE INHIBITOR;   

DOI  :  10.1107/S2056989015020046

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The crystal structure and absolute configuration of the two new title nelfinavir analogs, C24H35ClN4O5, (I), and C27H39ClN4O5, (II), have been determined. Each of these mol­ecules exhibits a number of disordered moieties. There are intra­molecular N—H⋯O hydrogen bonds in both (I) and (II). In (I) it involves the two carboxamide groups, while in (II) it involves the N-tert-butyl carboxamide group and the 2-hydroxyl O atom. The inter­molecular hydrogen bonding in (I) (O—H⋯O and N—H⋯O) leads to two-dimensional sheets that extend parallel to the ac plane. The inter­molecular hydrogen bonding in (II) (O—H⋯O) leads to chains that extend parallel to the a axis.

【 授权许可】

CC BY