DETERMINATION OF THE BARRIER TO C-N BOND ROTATION IN CAPTOPRIL - APPLICATION OF REFERENCE DECONVOLUTION TO LINE-SHAPE ANALYSIS

被引：18

作者：

GREEN, DVS

HILLIER, IH

MORRIS, GA

WHALLEY, L

机构：

[1] Department of Chemistry, University of Manchester, Manchester, M13 9PL, Oxford Road

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 1990年 / 28卷 / 09期

关键词：

Captopril; Line‐shape analysis; Reference deconvolution; Saturation transfer;

D O I：

10.1002/mrc.1260280916

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

13C NMR was used to study the cis‐trans isomerization of 1‐[(2S)‐3‐mercapto‐2‐methyl‐1‐oxopropyl]‐L‐proline (captopril) in D2O solution over the temperature range 50–100°C. Measurements of the rate of cis‐trans interconversion were made by line‐shape analysis and saturation transfer techniques. The combined results yielded a value for the activation energy of 89 ± 2 kJ mol−1 (21.3 ± 0.5 kcal mol−1) for the C‐N bond rotation. For line‐shape analysis the experimental data were treated by reference deconvolution, using a small amount of labelled acetonitrile as reference, before processing. It was found that the deconvolution process significantly improved the reliability of the analysis. Copyright © 1990 John Wiley & Sons, Ltd.

引用

页码：820 / 823

页数：4

共 19 条

[1] INVESTIGATION OF PEPTIDE-BOND ISOMERIZATION BY MAGNETIZATION TRANSFER NMR [J].