Side-chain conformations for selected backbone conformations of N-acetyl-L-isoleucine-N-methylamide and N-acetyl-L-nor-isoleucine- N- methylamide. An exploratory ab initio study

M.N. BARROSO, E.S. CERUTTI, A.M. RODRÍGUEZ, E.A. JÁUREGUI, O. FARKAS, A. PERCZEL, R.D. ENRIZ

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM

Elsevier

Año: 2001 vol. 548 p. 21 - 37

0166-1280

The Ramachandran or backbone potential energy surface (PES) of N-acetyl- -isoleucine-N-methylamide has been explored using the a,a side-chain conformation. The side-chain conformational PES were generated with fixed backbone conformations: γ and β. The β side-chain PES of the isoleucine derivative was compared to that of the nor-isoleucine derivative.