## Abstract The first successful observation of the vicinal ^15^N,^13^C spin‐coupling constants in a series of amino acids, comprising Val, Ile, Leu and Thr, in which the α‐nitrogens are fully replaced with ^15^N, is described. A Karplus‐type dihedral‐angle dependence was noted for the coupling con
Precise values of the 13C component vicinal coupling constants for calculating side-chain conformations in amino acids
✍ Scribed by M. C. Reddy; B. P. Nagi Reddy; K. R. Sridharan; J. Ramakrishna
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 299 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
From consideration of ^1^H–^1^H vicinal coupling constants and ^13^C^1^H long‐range coupling constants in a series of amino acid derivatives, the precise values of ^13^C component vicinal coupling constants have been calculated for the three minimum energy staggered rotamers for the C(α)HC(β)H~2~ side‐chains of amino acids.
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The vicinal "G'H, "N-'H and %-"N spin coupling constants were obtained from the 'H and =C NMR spectra of various ionic forms of the amino acids phenylalanine, a-aminobutyric acid and p-alanine, and also from their "N isotopomers. It is concluded that the "C-'H and =N-lH coupling constants are reliab
The complete analysis of the 'H NMR spectra of [ (C,Me,)lr(glycinate)CI] and [ (C,Me,)Ir(N-methyl-g1ycinate)Clj provide information for the conformational analysis of the five-membered N-C-C-0-Ir ring. A Karplus relationship has been established for these metallacycles [ 3J(H,H) = 8.9 cos' 4 -1.0 c