Konformation von Anthranilsäurepeptiden: Kristallstruktur von tert-Butyloxycarbonyl-Anthranilsäure-Glycinmethylester und semiempirische (AM 1) Beschreibung der Ramachandran-Hyperfläche / Conformation of Anthranilic Acid Peptides: Crystal Structure of tert-Butyloxycarbonyl-Anthranilic-Acid-Glycin-Methyl-Ester and Semi-Empirical (AM 1) Description of the Ramachandran Map

Abstract

Two different molecules are observed in the asymmetric unit of the crystal structure of tert-butyloxycarbonyl-anthranilic-acid-glycin-methyl-ester (1). The whole conformational area (φ and ψ) of the amino acid part of 1 was investigated with the semi-empirical quantenmechanical method AM 1. The structures of 1 in the crystal are well described by the calculations. Rules are derived for the conformational space of peptides containing esters and anthranilic acids.