Cargando…
Crystal structure of methyl (S)-2-{(R)-4-[(tert-butoxycarbonyl)amino]-3-oxo-1,2-thiazolidin-2-yl}-3-methylbutanoate: a chemical model for oxidized protein tyrosine phosphatase 1B (PTP1B)
The asymmetric unit of the title compound, C(14)H(24)N(2)O(5)S, contains two independent molecules (A and B). In each molecule, the isothiazolidin-3-one ring adopts an envelope conformation with the methylene C atom as the flap. In the crystal, the A molecules are linked to one another by N—H⋯...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518936/ https://www.ncbi.nlm.nih.gov/pubmed/26279856 http://dx.doi.org/10.1107/S2056989015010051 |
Sumario: | The asymmetric unit of the title compound, C(14)H(24)N(2)O(5)S, contains two independent molecules (A and B). In each molecule, the isothiazolidin-3-one ring adopts an envelope conformation with the methylene C atom as the flap. In the crystal, the A molecules are linked to one another by N—H⋯O hydrogen bonds, forming columns along [010]. The B molecules are also linked to one another by N—H⋯O hydrogen bonds, forming columns along the same direction, i.e. [010]. Within the individual columns, there are also C—H⋯S and C—H⋯O hydrogen bonds present. The columns of A and B molecules are linked by C—H⋯O hydrogen bonds, forming sheets parallel to (10-1). The absolute structure was determined by resonant scattering [Flack parameter = 0.00 (3)]. |
---|