Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate

The title compound, C(38)H(50)N(2)O(7), represents a chiral β-proline dipeptide. Corresponding stereogenic centres of constituting pyrrolidine units have opposite absolute configurations. The central amide fragment is planar within 0.1 Å and adopts a Z configuration along the N—CO bond. In the cryst...

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Autores principales: Ivantcova, Polina M., Sokolov, Mikhail N., Kudryavtsev, Konstantin V., Churakov, Andrei V.
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/PMC6505609/
https://www.ncbi.nlm.nih.gov/pubmed/31110780
http://dx.doi.org/10.1107/S2056989019004079
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author Ivantcova, Polina M.
Sokolov, Mikhail N.
Kudryavtsev, Konstantin V.
Churakov, Andrei V.
author_facet Ivantcova, Polina M.
Sokolov, Mikhail N.
Kudryavtsev, Konstantin V.
Churakov, Andrei V.
author_sort Ivantcova, Polina M.
collection PubMed
description The title compound, C(38)H(50)N(2)O(7), represents a chiral β-proline dipeptide. Corresponding stereogenic centres of constituting pyrrolidine units have opposite absolute configurations. The central amide fragment is planar within 0.1 Å and adopts a Z configuration along the N—CO bond. In the crystal, the hydrogen atoms of the methyl­ene groups form several short inter­molecular C—H⋯O contacts with the carbonyl oxygen atoms of an adjacent mol­ecule. The only active amino hydrogen atom is not involved in hydrogen bonding.
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spelling pubmed-65056092019-05-20 Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate Ivantcova, Polina M. Sokolov, Mikhail N. Kudryavtsev, Konstantin V. Churakov, Andrei V. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(38)H(50)N(2)O(7), represents a chiral β-proline dipeptide. Corresponding stereogenic centres of constituting pyrrolidine units have opposite absolute configurations. The central amide fragment is planar within 0.1 Å and adopts a Z configuration along the N—CO bond. In the crystal, the hydrogen atoms of the methyl­ene groups form several short inter­molecular C—H⋯O contacts with the carbonyl oxygen atoms of an adjacent mol­ecule. The only active amino hydrogen atom is not involved in hydrogen bonding. International Union of Crystallography 2019-04-02 /pmc/articles/PMC6505609/ /pubmed/31110780 http://dx.doi.org/10.1107/S2056989019004079 Text en © Ivantcova 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
Ivantcova, Polina M.
Sokolov, Mikhail N.
Kudryavtsev, Konstantin V.
Churakov, Andrei V.
Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate
title Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate
title_full Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate
title_fullStr Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate
title_full_unstemmed Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate
title_short Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate
title_sort crystal structure of 4-[(1r,2s,5r)-2-isopropyl-5-methyl­cyclo­hex­yl] 2-methyl (2s,4s,5r)-1-[(2s,3r,5r)-5-meth­oxy­carbonyl-2-(2-methyl­phen­yl)pyrrolidine-3-carbon­yl]-5-(2-methyl­phen­yl)pyrrolidine-2,4-di­carboxyl­ate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505609/
https://www.ncbi.nlm.nih.gov/pubmed/31110780
http://dx.doi.org/10.1107/S2056989019004079
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AT sokolovmikhailn crystalstructureof41r2s5r2isopropyl5methylcyclohexyl2methyl2s4s5r12s3r5r5methoxycarbonyl22methylphenylpyrrolidine3carbonyl52methylphenylpyrrolidine24dicarboxylate
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