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Structure of N-tert-butyloxycarbonyl-[alpha]-aminoisobutyryl-DL-pipecolyl-[alpha]-aminoisobutyric acid methyl ester

Bardi, R and Piazzesi, AM and Crisma, M and Toniolo, C and Sukumar, M and Balaram, P (1992) Structure of N-tert-butyloxycarbonyl-[alpha]-aminoisobutyryl-DL-pipecolyl-[alpha]-aminoisobutyric acid methyl ester. In: Acta Crystallographica Section C, 48 . pp. 1645-1648.

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Abstract

C20H35N3O6 (Boc-Aib-DL-Pip-Aib-OMe, Boc = tert-butyloxycarbonyl, Aib = alpha-aminoisobutyric acid, Pip = pipecolic acid, OMe = methoxy), M(r) = 413.5, monoclinic, P2(1)/c, a = 18.055 (3), b = 15.048 (3), c = 17.173 (3) angstrom, beta = 91.7 (1)-degrees, V = 4663.8 (9) angstrom3, Z = 8, D(m) = 1.16, D(x) = 1.178 Mg m-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 0.081 mm-1, F(000) = 1792, T = 297 K. The final R value for 4925 [I greater-than-or-equal-to 3sigma(I)] reflections is 0.065 (wR = 0.067). The peptide backbone of the two independent molecules in the asymmetric unit is folded at the -Aib-Pip- sequence to form a type-I (I') beta-bend stabilized by a 1 <-- 4 intramolecular N-H...O=C hydrogen bond between the Aib(3) peptide N-H and Boc urethane C=O groups.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 05 May 2011 06:31
Last Modified: 05 May 2011 06:31
URI: http://eprints.iisc.ernet.in/id/eprint/37193

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