Conformation of peptides containing α‐Aminoisobutyric acid the crystal structure of Boc‐Gly‐l‐Ala‐Aib‐OMe

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Abstract
Boc‐Gly‐L‐Ala‐Aib‐OMe (1) crystallizes in the space group P212121 with a = 10.043(3), b = 11.590(5), c = 16.779(1) Å, and Z = 4 (R value for 1859 symmetry independent reflexions: 0.043). On the basis of a 4 → 1 intramolecular hydrogen bond, the tripeptide forms a β‐turn type III, although the Cα atom in the Aib residue is not directly involved in the β‐turn ring system. Inter‐molecular hydrogen bonds link the single molecules to helical structures along [100].