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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.
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Supporting information
![]() | Crystallographic Information File (CIF) |
CCDC reference: 127219