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(S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate

The structure of the title compound, C(15)H(21)N(3)O(6)·H(2)O, is of inter­est with respect to assumed anti­cancer activity. The title mol­ecules are linked through inter­molecular O—H⋯O hydrogen-bonded chains along the a axis. These chains are connected by inter­molecular N—H⋯O hydrogen bonds throu...

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Detalles Bibliográficos
Autores principales: Yang, Kang-Hui, Li, Xun, Gong, Jian-Zhi, Fang, Hao, Xu, Wen-Fang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960037/
https://www.ncbi.nlm.nih.gov/pubmed/21581415
http://dx.doi.org/10.1107/S1600536808039056
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author Yang, Kang-Hui
Li, Xun
Gong, Jian-Zhi
Fang, Hao
Xu, Wen-Fang
author_facet Yang, Kang-Hui
Li, Xun
Gong, Jian-Zhi
Fang, Hao
Xu, Wen-Fang
author_sort Yang, Kang-Hui
collection PubMed
description The structure of the title compound, C(15)H(21)N(3)O(6)·H(2)O, is of inter­est with respect to assumed anti­cancer activity. The title mol­ecules are linked through inter­molecular O—H⋯O hydrogen-bonded chains along the a axis. These chains are connected by inter­molecular N—H⋯O hydrogen bonds through the crystallographic screw axis along [010], forming layers, which are stabilized by other N—H⋯O bonds with water O atoms as acceptors and O—H⋯O bonds with water H atoms as donors. The H atoms of the protonated amino cation are also involved in inter­molecular N—H⋯O bonding inter­actions.
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spelling pubmed-29600372010-12-30 (S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate Yang, Kang-Hui Li, Xun Gong, Jian-Zhi Fang, Hao Xu, Wen-Fang Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound, C(15)H(21)N(3)O(6)·H(2)O, is of inter­est with respect to assumed anti­cancer activity. The title mol­ecules are linked through inter­molecular O—H⋯O hydrogen-bonded chains along the a axis. These chains are connected by inter­molecular N—H⋯O hydrogen bonds through the crystallographic screw axis along [010], forming layers, which are stabilized by other N—H⋯O bonds with water O atoms as acceptors and O—H⋯O bonds with water H atoms as donors. The H atoms of the protonated amino cation are also involved in inter­molecular N—H⋯O bonding inter­actions. International Union of Crystallography 2008-11-26 /pmc/articles/PMC2960037/ /pubmed/21581415 http://dx.doi.org/10.1107/S1600536808039056 Text en © Yang 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
Yang, Kang-Hui
Li, Xun
Gong, Jian-Zhi
Fang, Hao
Xu, Wen-Fang
(S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate
title (S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate
title_full (S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate
title_fullStr (S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate
title_full_unstemmed (S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate
title_short (S)-2-[(2R,3S)-2-Ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate
title_sort (s)-2-[(2r,3s)-2-ammonio-3-hydr­oxy-3-(4-nitro­phen­yl)propanamido]-4-methyl­penta­noate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960037/
https://www.ncbi.nlm.nih.gov/pubmed/21581415
http://dx.doi.org/10.1107/S1600536808039056
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