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Crystal structure of N-{ N-[ N-( tert-but-oxy-carbon-yl)-l-α-aspart-yl]-l-α-aspart-yl}-l-α-aspartic acid 1 4,2 4,3 4-trimethyl ester 3 1-2-oxo-2-phenyl-ethyl ester {Boc-[Asp(OMe)] 3-OPac}

Takuma Kato, Saki Kishimoto, Akiko Asano, Mitsunobu Doi

Acta Crystallogr E Crystallogr Commun. 2019 Apr 9;75(Pt 5):585-588.

PMID: 31110791

Abstract:

In the title homotripeptide {Boc-[Asp(OMe)]3-OPac}, C28H37N3O13, all peptide bonds adopt an s-trans conformation with respect to the N-H and C=O groups. In the crystal, N-H⋯O hydrogen bonds result in an infinite parallel β-sheet structure running along the b-axis direction. The Boc protecting group at the N-terminus of the peptide is disordered over two sites with occupancy factors of 0.504 (5) and 0.496 (5).

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