(S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate

Yang, K.-H.; Li, X.; Gong, J.-Z.; Fang, H.; Xu, W.-F.

doi:10.1107/S1600536808039056

Acta Crystallographica Section E

Structure Reports Online

Volume 64, Part 12 (December 2008)

organic compounds

Acta Cryst. (2008). E64, o2447 [ doi:10.1107/S1600536808039056 ]

(S)-2-[(2R,3S)-2-Ammonio-3-hydroxy-3-(4-nitrophenyl)propanamido]-4-methylpentanoate monohydrate

K.-H. Yang, X. Li, J.-Z. Gong, H. Fang and W.-F. Xu

Abstract: The structure of the title compound, C₁₅H₂₁N₃O₆·H₂O, is of interest with respect to assumed anticancer activity. The title molecules are linked through intermolecular O-HO hydrogen-bonded chains along the a axis. These chains are connected by intermolecular N-HO hydrogen bonds through the crystallographic screw axis along [010], forming layers, which are stabilized by other N-HO bonds with water O atoms as acceptors and O-HO bonds with water H atoms as donors. The H atoms of the protonated amino cation are also involved in intermolecular N-HO bonding interactions.