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

卷:71

Tucker Maxson¹  Douglas A. Mitchell¹  Danielle L. Gray²  Jeffery A. Bertke² 

[1] Department of Chemistry, University of Illinois, 345 Roger Adams Lab, 600 South Mathews Avenue, Urbana, IL 61801, USA;

[2] 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

来源: DOAJ

【 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】

Unknown