The crystal structure of pivaloyl-D-prolyl-L-prolyl-L-alanyl-N-methylamide

Mohana Kumaran Nair, C. ; Vijayan, Mamannamana (1980) The crystal structure of pivaloyl-D-prolyl-L-prolyl-L-alanyl-N-methylamide Journal of the Chemical Society, Perkin Transactions 2 (12). pp. 1800-1804. ISSN 0300-9580

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Pivaloyl-D-prolyl-L-prolyl-L-analyl-N-methylamide (I), C19H32N4O4, crystallizes in the orthorhombic space group P212121 with four molecules in a unit cell of dimensions a= 9.982 (1), b= 10.183 (3), c= 20.746 (2)Å. The structure has been refined to R 0.048 for 1 745 observed reflections. All the peptide bonds in the molecule are trans and both the proyl residues are in the Cγ-exo-conformation. The molecule assumes a highly folded conformation in which a Type II'DL bend is followed by a Type I LL bend, both stabilised by intramolecular 4 → 1 hydrogen bonds. This conformation, which has been observed for the first time, is of interest in relation to the structure of gramicidin S.

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Deposited On:11 Aug 2011 14:27
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