The crystal structure of benzyloxycarbonyl-(α-aminoisobutyryl)-L-alanyl methyl ester

Abstract

Crystals of the title compound, C₂₀,H₂₉,N₃,O₆, are monoclinic, space group P2, with a = 8-839 (3), b = f10.818 (3), c = 11.414 (2) A, β = 95.69 (2)° Z = 2; final R = 0.053. The molecular conformation is defined by the following angles (φ, ψ): Aib-1 58- 1, 36.8; Aib-2 68.3, 18.6; Ala-3 (φ) -136.2°. The molecule adopts a type 111 β -turn conformation stabilized by an intramolecular hydrogen bond between the CO of the benzyloxycarbonyl group and the NH of the alanyl residue. The hydrogen-bond parameters are N···O 2-904 Å and ∠NH···O 156.9°.