title: Type II' beta-bend conformation of tert.-butyloxycarbonyl-L-amino-succinyl-L-alanyl-glycine methyl ester in the solid state.
abstract: Boc-L-Asu-L-Ala-Gly-OMe crystallizes in the monoclinic space group P2(1) with cell dimensions a = 14.315 (3) A, b = 9.280 (2) A, c = 14.358(3) A, beta = 103.63(1) A, V= 1853.4 (9) A3, with two molecules in the asymmetric unit. The conformation of the two molecules is characterized by a type II' beta-bend, similar to that predicted earlier by potential energy calculations, stabilized by an intramolecular hydrogen bond. I.r. and 1H-n.m.r. data show that the folded conformation is also stable in chloroform solution.
mesh_terms: D005563:Formic Acid Esters; D009842:Oligopeptides; D011487:Protein Conformation; D012996:Solutions
chemical_list: D005563:Formic Acid Esters; D009842:Oligopeptides; D012996:Solutions; C000345:t-butyloxycarbonyl group