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The histidine side chain of the title compound, C8H13N4O3+.Cl.2H2O, is protonated and is incorporated in a tight N—H...X and C—H...X hydrogen-bonding pattern. The orientation of the imidazole moiety is unusual and associated with a short intramolecular C—H...O=C hydrogen bond from HisCδ—H to the peptide C=O. This configuration has not been observed previously with peptides.

Supporting information


Crystallographic Information File (CIF)
Contains datablock default

CCDC reference: 127219

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