Information card for entry 2009503

Structure parameters

• Formula: C16 H28 N4 O3
• Calculated formula: C16 H28 N4 O3
• SMILES: CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H]1CCCN1)C
• Title of publication: Structure of the tripeptide amide H-<small>L</small>-Pro-<small>L</small>-Leu-<small>L</small>-Pro-NH~2~, a dopamine receptor modulating agent
• Authors of publication: Di Blasio, B.; Nastri, F.; Saviano, M.; Benedetti, E.; Crisma, M.; Toniolo, C.; Johnson, R.L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 250 - 252
• a: 6.502 ± 0.008 Å
• b: 9.682 ± 0.005 Å
• c: 28.629 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1802 ± 2 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 0.672
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No