Crystal structure of N-{ N-[ N-(tert-but-oxy-carbon-yl)-l-α-aspart-yl]-l-α-aspart-yl}-l-α-aspartic acid 14,24,34-trimethyl ester 31-2-oxo-2-phenyl-ethyl ester {Boc-[Asp(OMe)]3-OPac}

Takuma Kato; Saki Kishimoto; Akiko Asano; Mitsunobu Doi

doi:10.1107/S2056989019004596

Crystal structure of N-{ N-[ N-(tert-but-oxy-carbon-yl)-l-α-aspart-yl]-l-α-aspart-yl}-l-α-aspartic acid 1⁴,2⁴,3⁴-trimethyl ester 3¹-2-oxo-2-phenyl-ethyl ester {Boc-[Asp(OMe)]₃-OPac}

Acta Crystallogr E Crystallogr Commun. 2019 Apr 9;75(Pt 5):585-588. doi: 10.1107/S2056989019004596. eCollection 2019 May 1.

Authors

Takuma Kato¹, Saki Kishimoto¹, Akiko Asano¹, Mitsunobu Doi¹

Affiliation

¹ Osaka University of Pharmaceutical Sciences, 4-20-1 Nasahara, Takatsuki, Osaka 569-1094, Japan.

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).

Keywords: crystal structure; homopeptide; hydrogen bonding; peptide.

Grants and funding

This work was funded by Grant-in-Aid for Research Activity Start-up grant JP17H07269.