Publication
Title
An ab initio 4-21G gradient study of clavulanic acid
Author
Abstract
The structure of five conformations of the beta-lactamase inhibitor clavulanic acid have been optimized using ab initio gradient methods at the 4-21G level. The conformations of lowest energy possess an intramolecular H bond and also have the lowest pyramidization of N1. Different side-chain conformations lead to (i) differences in anomeric interactions and variations of the hydroxyethylidene geometry and (ii) changes in the geometry of the ring skeleton, which are smaller in the four- than in the five-membered ring.
Language
English
Source (journal)
Structural chemistry. - Deerfield Beach, Fla
Publication
Deerfield Beach, Fla : 1992
ISSN
1040-0400
Volume/pages
3:5(1992), p. 321-327
ISI
A1992JY04500003
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 09.06.2017
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