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Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclo-hex-yl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-meth-oxy-carbonyl-2-(2-methyl-phen-yl)pyrrolidine-3-carbon-yl]-5-(2-methyl-phen-yl)pyrrolidine-2,4-di-carboxyl-ate.

ABSTRACT: The title compound, C38H50N2O7, represents a chiral ?-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 methyl-ene groups form several short inter-molecular C-H?O contacts with the carbonyl oxygen atoms of an adjacent mol-ecule. The only active amino hydrogen atom is not involved in hydrogen bonding.

SUBMITTER: Ivantcova PM 

PROVIDER: S-EPMC6505609 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature

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Crystal structure of 4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methyl-cyclo-hex-yl] 2-methyl (2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-[(2<i>S</i>,3<i>R</i>,5<i>R</i>)-5-meth-oxy-carbonyl-2-(2-methyl-phen-yl)pyrrolidine-3-carbon-yl]-5-(2-methyl-phen-yl)pyrrolidine-2,4-di-carboxyl-ate.

Ivantcova Polina M PM   Sokolov Mikhail N MN   Kudryavtsev Konstantin V KV   Churakov Andrei V AV  

Acta crystallographica. Section E, Crystallographic communications 20190402 Pt 5

The title compound, C<sub>38</sub>H<sub>50</sub>N<sub>2</sub>O<sub>7</sub>, 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 <i>Z</i> configuration along the N-CO bond. In the crystal, the hydrogen atoms of the methyl-ene groups form several short inter-molecular C-H⋯O contacts with the carbonyl oxygen atoms of an adjacent mol-ecule. Th  ...[more]

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