tert-Butyl (3S,6R,9R)-(5-oxo-3-{[1(R)-phenylethyl]carbamoyl}-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate at 95 K

Abstract

The asymmetric unit of the title compound, C(22)H(31)N(3)O(4).H(2)O, incorporates one water molecule, which is hydrogen bonded to the 3-oxo O atom of the indolizidinone system. The two rings of the peptidomimetic molecule are trans-fused, with the six-membered ring having a slightly distorted half-chair conformation and the five-membered ring having a perfect envelope conformation. The structure is stabilized by intermolecular O-H...O interactions between the water and adjacent peptide molecules, and by N-H...O interactions between the peptide molecules, which link the molecules into infinite chains.