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The crystal structure of benzyloxycarbonyl-(α-aminoisobutyryl)2-L-alanyl methyl ester

1980; International Union of Crystallography; Volume: 36; Issue: 1 Linguagem: Inglês

10.1107/s0567740880002531

1600-8650

B. V. Venkataram Prasad, N. Shamala, Ramakrishnan Nagaraj, P. Balaram,

Analytical Chemistry and Chromatography

Crystals of the title compound, C 20 ,H 29 ,N 3 ,O 6 , 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 A and ∠NH···O 156.9°.