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H–d-Phe–d-Pro–Gly methyl ester hydrochloride monohydrate
The conformation of the title tripeptide methyl ester hydrochloride monohydrate, 1-[2-(methoxycarbonylmethylaminocarbonyl)pyrrolidin-1-ylcarbonyl]-2-phenylethanaminium chloride monohydrate, C(17)H(24)N(3)O(4) (+)·Cl(−)·H(2)O, is extended, but the structure cannot be classified as any typical second...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961031/ https://www.ncbi.nlm.nih.gov/pubmed/21202095 http://dx.doi.org/10.1107/S160053680800528X |
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author | Doi, Mitsunobu Ichimiya, Yuko Asano, Akiko |
author_facet | Doi, Mitsunobu Ichimiya, Yuko Asano, Akiko |
author_sort | Doi, Mitsunobu |
collection | PubMed |
description | The conformation of the title tripeptide methyl ester hydrochloride monohydrate, 1-[2-(methoxycarbonylmethylaminocarbonyl)pyrrolidin-1-ylcarbonyl]-2-phenylethanaminium chloride monohydrate, C(17)H(24)N(3)O(4) (+)·Cl(−)·H(2)O, is extended, but the structure cannot be classified as any typical secondary structure. Interactions through water molecules and chloride ions were formed, in addition to peptide–peptide hydrogen bonds, stabilizing the molecular packing. In comparison with the previous β-turn structure of the Phe–d-Pro–Gly analogue [Doi, Ichimiya & Asano (2007 ▶). Acta Cryst. E63, o4691], it was suggested that the difference between the chiralities of Phe and Pro residues of the title compound is important to induce the β-turn structure. |
format | Text |
id | pubmed-2961031 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29610312010-12-30 H–d-Phe–d-Pro–Gly methyl ester hydrochloride monohydrate Doi, Mitsunobu Ichimiya, Yuko Asano, Akiko Acta Crystallogr Sect E Struct Rep Online Organic Papers The conformation of the title tripeptide methyl ester hydrochloride monohydrate, 1-[2-(methoxycarbonylmethylaminocarbonyl)pyrrolidin-1-ylcarbonyl]-2-phenylethanaminium chloride monohydrate, C(17)H(24)N(3)O(4) (+)·Cl(−)·H(2)O, is extended, but the structure cannot be classified as any typical secondary structure. Interactions through water molecules and chloride ions were formed, in addition to peptide–peptide hydrogen bonds, stabilizing the molecular packing. In comparison with the previous β-turn structure of the Phe–d-Pro–Gly analogue [Doi, Ichimiya & Asano (2007 ▶). Acta Cryst. E63, o4691], it was suggested that the difference between the chiralities of Phe and Pro residues of the title compound is important to induce the β-turn structure. International Union of Crystallography 2008-03-12 /pmc/articles/PMC2961031/ /pubmed/21202095 http://dx.doi.org/10.1107/S160053680800528X Text en © Doi et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Doi, Mitsunobu Ichimiya, Yuko Asano, Akiko H–d-Phe–d-Pro–Gly methyl ester hydrochloride monohydrate |
title | H–d-Phe–d-Pro–Gly methyl ester hydrochloride monohydrate |
title_full | H–d-Phe–d-Pro–Gly methyl ester hydrochloride monohydrate |
title_fullStr | H–d-Phe–d-Pro–Gly methyl ester hydrochloride monohydrate |
title_full_unstemmed | H–d-Phe–d-Pro–Gly methyl ester hydrochloride monohydrate |
title_short | H–d-Phe–d-Pro–Gly methyl ester hydrochloride monohydrate |
title_sort | h–d-phe–d-pro–gly methyl ester hydrochloride monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961031/ https://www.ncbi.nlm.nih.gov/pubmed/21202095 http://dx.doi.org/10.1107/S160053680800528X |
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