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L-Alanylglycyl-L-alanine, C8H15N3O4, exists as zwitterion in the crystal with the N terminus protonated and the C terminus in an ionized form. Both the peptide units are in trans configurations and deviate significantly from planarity. Backbone torsion angles are ψ1 = 172.7 (2), ω1 = −178.2 (2), φ2 = 91.7 (2), ψ2 = −151.9 (2), ω2 = −176.9 (2), φ3 = −71.3 (2), ψ31 = −7.0 (3), ψ32 = 172.4 (2). The protonated NH3+ forms three hydrogen bonds with atoms of symmetry-related molecules.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablock AGA

fcf

Structure factor file (CIF format)
Contains datablock aga

CCDC reference: 126898

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