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The structure and hydrogen bond of tert ‐butoxycarbonyl‐ D, L ‐isoleucyl‐glycyl methyl ester
Author(s) -
Yang QingChuan,
Dai Sheng,
Tang YouQi
Publication year - 1992
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19920100602
Subject(s) - chemistry , cndo/2 , hydrogen bond , residue (chemistry) , methyl group , crystal structure , stereochemistry , medicinal chemistry , crystallography , group (periodic table) , organic chemistry , molecule
The crystal structure of tert ‐butoxycarbonyl‐ D , L ‐isoleucyl‐glycyl methyl ester was determined by the X‐ray method. The space group is P 2 1 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.