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)

摘要

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)].