Crystal structure of N-{N-[N-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {Boc-[Asp(OMe)](3)-OPac}

In the title homotripeptide {Boc-[Asp(OMe)](3)-OPac}, C(28)H(37)N(3)O(13), 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 protect...

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Autores principales: Kato, Takuma, Kishimoto, Saki, Asano, Akiko, Doi, Mitsunobu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505608/
https://www.ncbi.nlm.nih.gov/pubmed/31110791
http://dx.doi.org/10.1107/S2056989019004596
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author Kato, Takuma
Kishimoto, Saki
Asano, Akiko
Doi, Mitsunobu
author_facet Kato, Takuma
Kishimoto, Saki
Asano, Akiko
Doi, Mitsunobu
author_sort Kato, Takuma
collection PubMed
description In the title homotripeptide {Boc-[Asp(OMe)](3)-OPac}, C(28)H(37)N(3)O(13), 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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spelling pubmed-65056082019-05-20 Crystal structure of N-{N-[N-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {Boc-[Asp(OMe)](3)-OPac} Kato, Takuma Kishimoto, Saki Asano, Akiko Doi, Mitsunobu Acta Crystallogr E Crystallogr Commun Research Communications In the title homotripeptide {Boc-[Asp(OMe)](3)-OPac}, C(28)H(37)N(3)O(13), 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). International Union of Crystallography 2019-04-09 /pmc/articles/PMC6505608/ /pubmed/31110791 http://dx.doi.org/10.1107/S2056989019004596 Text en © Kato et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Kato, Takuma
Kishimoto, Saki
Asano, Akiko
Doi, Mitsunobu
Crystal structure of N-{N-[N-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {Boc-[Asp(OMe)](3)-OPac}
title Crystal structure of N-{N-[N-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {Boc-[Asp(OMe)](3)-OPac}
title_full Crystal structure of N-{N-[N-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {Boc-[Asp(OMe)](3)-OPac}
title_fullStr Crystal structure of N-{N-[N-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {Boc-[Asp(OMe)](3)-OPac}
title_full_unstemmed Crystal structure of N-{N-[N-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {Boc-[Asp(OMe)](3)-OPac}
title_short Crystal structure of N-{N-[N-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {Boc-[Asp(OMe)](3)-OPac}
title_sort crystal structure of n-{n-[n-(tert-but­oxy­carbon­yl)-l-α-aspart­yl]-l-α-aspart­yl}-l-α-aspartic acid 1(4),2(4),3(4)-trimethyl ester 3(1)-2-oxo-2-phenyl­ethyl ester {boc-[asp(ome)](3)-opac}
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505608/
https://www.ncbi.nlm.nih.gov/pubmed/31110791
http://dx.doi.org/10.1107/S2056989019004596
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