Dataset Information
Crystal structure of N-{N-[N-(tert-but-oxy-carbon-yl)-l-?-aspart-yl]-l-?-aspart-yl}-l-?-aspartic acid 14,24,34-trimethyl ester 31-2-oxo-2-phenyl-ethyl ester {Boc-[Asp(OMe)]3-OPac}.
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ABSTRACT:
SUBMITTER: Kato T
PROVIDER: S-EPMC6505608 | biostudies-literature | 2019 May
REPOSITORIES: biostudies-literature
Publications
Crystal structure of <i>N</i>-{<i>N</i>-[<i>N</i>-(<i>tert</i>-but-oxy-carbon-yl)-l-α-aspart-yl]-l-α-aspart-yl}-l-α-aspartic acid 1<sup>4</sup>,2<sup>4</sup>,3<sup>4</sup>-trimethyl ester 3<sup>1</sup>-2-oxo-2-phenyl-ethyl ester {Boc-[Asp(OMe)]<sub>3</sub>-OPac}.
Acta crystallographica. Section E, Crystallographic communications 20190409 Pt 5
In the title homotripeptide {Boc-[Asp(OMe)]<sub>3</sub>-OPac}, C<sub>28</sub>H<sub>37</sub>N<sub>3</sub>O<sub>13</sub>, all peptide bonds adopt an <i>s-trans</i> 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 <i>b-</i>axis direction. The Boc protecting group at the <i>N</i>-terminus of the peptide is disordered over two sites with occupancy factors of 0.504 (5) and 0.496 (5). ...[more]