An investigation of the conformational states of the methylamide of N-acetyl-L-histidine
作者： P. Berlin , M. Kreisler , S. F. Arkhipova , G. M. Lipkind , E. M. Popov
DOI: 10.1007/BF00567808
关键词: Histidine 、 Computational chemistry 、 Protonation 、 Ring (chemistry) 、 Imidazole 、 Chemistry 、 Tautomer 、 Methylamide 、 Crystallography 、 Hydrogen atom 、 Side chain 、 Plant science
摘要: 1. All the conformational states of methylamide N-acetyl-L-histidine have been calculated. 2. It has shown that in case tautomer imidazole ring with a hydrogen atom on the $${\text{N}}^{\varepsilon _2 }$$ atom, form R main chain is preferred, and proton on $${\text{N}}^\delta _1$$ also protonated state side B forms are preferred. 3. The equilibrium displaced direction I.
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