Acta Cryst. (2014). C70, 405-407 [ doi:10.1107/S2053229614005567 ]
Abstract: The title peptide, N-benzyloxycarbonyl--aminoisobutyryl--aminoisobutyryl--aminoisobutyryl-L-alanine tert-butyl ester or Z-Aib-Aib-Aib-L-Ala-OtBu (Aib is -aminoisobutyric acid, Z is benzyloxycarbonyl and OtBu indicates the tert-butyl ester), C27H42N4O7, is a left-handed helix with a right-handed conformation in the fourth residue, which is the only chiral residue. There are two 41 intramolecular hydrogen bonds in the structure. In the lattice, molecules are hydrogen bonded to form columns along the c axis.
CCDC reference: 973278
Keywords: crystal structure; peptide; left-handed helix; hydrogen bonding; -aminoisobutyric acid; peptaibol antibiotic peptides; Aib-Aib-Aib-Ala.
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