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Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe]

The title compound, C(11)H(17)BrN(2)O(5), is a de­hydro­amino 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 intra­molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol­ecule. The...

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Detalles Bibliográficos
Autores principales: Lenartowicz, Paweł, Makowski, Maciej, Zarychta, Bartosz, Ejsmont, Krzysztof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257433/
https://www.ncbi.nlm.nih.gov/pubmed/25553002
http://dx.doi.org/10.1107/S1600536814025677
Descripción
Sumario:The title compound, C(11)H(17)BrN(2)O(5), is a de­hydro­amino 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 intra­molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol­ecule. The dipeptide folding is influenced by an inter­molecular N—H⋯O hydrogen bond and also minimizes steric repulsion. In the crystal, mol­ecules 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] inter­actions.