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)
| Autor: | Kasi Viswanatharaju Ruddraraju, Roman Hillebrand, Charles L. Barnes, Kent S. Gates |
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| Jazyk: | angličtina |
| Rok vydání: | 2015 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 7, Pp 741-743 (2015) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989015010051 |
| Popis: | The asymmetric unit of the title compound, C14H24N2O5S, 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)]. |
| Databáze: | Directory of Open Access Journals |
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