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: Crystal Structure Communications, 48 (9). pp. 1645-1648.

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Abstract

C20H35N3O6 (Boc-Aib-De-Pip-Aib-OMe, Boc = tert-butyloxycarbonyl, Aib = alpha-aminoisobutyric acid, Pip = pipecolic acid, OMe = methoxy), Mr = 413.5, monoclinic, P21/c, a = 18.055(3), b = 15.048(3), c =17.173(3) Å, beta=91.7(1)°, V = 4663.8 (9) Å3, z = 8, Dm = 1.16, Dx = 1.178 Mg m -3, lambda(Mo Kalpha) = 0.71069 Å, mu = 0.081 mm -1, F(000) =1792, T = 297 K. The final R value for 4925 [I > and = 3sigma(l)] 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') fl-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
Publication:	Acta Crystallographica Section C: Crystal Structure Communications
Publisher:	International Union of Crystallography
Additional Information:	Copyright for this article belongs to International Union of Crystallography.
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	08 Dec 2004
Last Modified:	19 Sep 2010 04:17
URI:	http://eprints.iisc.ac.in/id/eprint/2405

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