Unknown

Dataset Information

0

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

Json Xml
altmetric image

Publications

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]

Similar Datasets

Unknown (9H-Fluoren-9-yl)methyl N-{(2R,3R,4S)-4-hy-droxy-2-[(2S,5R)-2-isopropyl-5-methyl-cyclo-hex-yloxy]-5-oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate.
| S-EPMC3275078 | biostudies-literature
Unknown (3S,4S,5R)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.
| S-EPMC2968068 | biostudies-literature
Unknown (5S)-3-Chloro-5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclo-hex-yloxy]-4-(4-methyl-piperidin-1-yl)furan-2(5H)-one.
| S-EPMC3051989 | biostudies-literature
Unknown (2S,3R,4R,5R)-3,4-Dihydr-oxy-5-(hydroxy-meth-yl)pyrrolidine-2-carboxylic acid [(2S,3R,4R,5R)-3,4-dihydr-oxy-5-(hydroxy-meth-yl)proline].
| S-EPMC2970405 | biostudies-other
Unknown [(3R,4S)-4-(4-Fluoro-phen-yl)-1-methyl-piperidin-3-yl]methyl 4-methyl-benzene-sulfonate.
| S-EPMC2983192 | biostudies-literature
Unknown (S)-3-Chloro-4-(4-ethyl-piperazin-1-yl)-5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclo-hex-yloxy]furan-2(5H)-one.
| S-EPMC3007345 | biostudies-literature
Unknown (5S)-3-Chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclo-hex-yloxy]furan-2(5H)-one.
| S-EPMC3050327 | biostudies-literature
Unknown 3-Chloro-4-dimethyl-amino-5-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclo-hex-yloxy]furan-2(5H)-one.
| S-EPMC3120571 | biostudies-literature
Unknown 5-{(2S,3R,4S,5S,6R)-3,4-Dihydr-oxy-6-hydroxy-meth-yl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydr-oxy-6-methyl-tetra-hydro-pyran-2-yloxy]tetra-hydro-pyran-2-yloxy}--7-hydr-oxy-2-(4-hydroxy-phen-yl)chromen-4-one monohydrate.
| S-EPMC2959284 | biostudies-literature
Unknown (3R,4S,5S)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]tetra-hydro-furan-2-one.
| S-EPMC2962143 | biostudies-literature