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References (3)
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J. Pople, G. Segal (1966)
Approximate Self‐Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 SystemsJournal of Chemical Physics, 44
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Y. Yamada, I. Tanaka, T. Ashida (1980)
The structure of tert‐butoxycarbonyl‐l‐prolyl‐l‐isoleucylglycineActa Crystallographica Section B Structural Crystallography and Crystal Chemistry, 36
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R. Marsh, J. Donohue (1967)
Crystal structure studies of amino acids and peptides.Advances in protein chemistry, 22
- Publisher
- Wiley
- Copyright
- Copyright © 1992 Wiley Subscription Services, Inc., A Wiley Company
- ISSN
- 1001-604X
- eISSN
- 1614-7065
- DOI
- 10.1002/cjoc.19920100602
- Publisher site
- See Article on Publisher Site
Abstract
The crystal structure of tert‐butoxycarbonyl‐D, L‐isoleucyl‐glycyl methyl ester was determined by the X‐ray method. The space group is P21 with a = 9.115(3), b= 12.075(4), c = 16.258(5) Å, β = 89.84(3) and Z = 4. It was observed that in the peptides which contain IleGly fragment the carbonyl group of Gly residue has less tendency to form hydrogen bond than that of Ile residue. This tendency was supported by the atomic net charges calculated with the quantum mechanics program CNDO/2.
Journal
Chinese Journal of Chemistry – Wiley
Published: Nov 1, 1992