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Crystal structure of N-(tert-but-oxy-carbon-yl)glycyl-(Z)-?-bromo-dehydro-alanine methyl ester [Boc-Gly-(?-Br)((Z))?Ala-OMe].

ABSTRACT: The title compound, C11H17BrN2O5, is a de-hydro-amino acid with a C=C bond between the ?- and ?-C atoms. The amino acid residues are linked trans to each other and there are no strong intra-molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol-ecule. The dipeptide folding is influenced by an inter-molecular N-H?O hydrogen bond and also minimizes steric repulsion. In the crystal, mol-ecules are linked by strong N-H?O hydrogen bonds, generating (001) sheets. The sheets are linked by weak C-H?O and C-H?Br bonds and short Br?Br [3.4149?(3)?Å] inter-actions.

SUBMITTER: Lenartowicz P

PROVIDER: S-EPMC4257433 | biostudies-other | 2014 Dec

REPOSITORIES: biostudies-other

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Crystal structure of N-(tert-but-oxy-carbon-yl)glycyl-(Z)-β-bromo-dehydro-alanine methyl ester [Boc-Gly-(β-Br)((Z))ΔAla-OMe].

Lenartowicz Paweł P Makowski Maciej M Zarychta Bartosz B Ejsmont Krzysztof K

Acta crystallographica. Section E, Structure reports online 20141129 Pt 12

The title compound, C11H17BrN2O5, is a de-hydro-amino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linked trans to each other and there are no strong intra-molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol-ecule. The dipeptide folding is influenced by an inter-molecular N-H⋯O hydrogen bond and also minimizes steric repulsion. In the crystal, mol-ecules are linked by strong N-H⋯O hydrogen bonds, generating (001) sheets. T ...[more]

PMID: 25553002

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