Information card for entry 2000287

Structure parameters

• Formula: C17 H22 N2 O5
• Calculated formula: C17 H22 N2 O5
• SMILES: COC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C
• Title of publication: Proline conformations in linear peptides. Structure determination of the methyl ester of <i>N</i>-benzyloxycarbonyl-<small>L</small>-prolyl-<small>D</small>-alanine (<i>N</i>-Z-<small>L</small>-Pro-<small>D</small>-Ala-OMe)
• Authors of publication: Krause, J. A.; Eggleston, D. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 1508 - 1512
• a: 5.005 ± 0.005 Å
• b: 17.69 ± 0.009 Å
• c: 18.7 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656 ± 2 ų
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No