Information card for entry 7152777

Structure parameters

• Common name: alpha-gamma peptide
• Chemical name: alpha-gamma peptide
• Formula: C47 H64 N8 O10
• Calculated formula: C47 H64 N8 O10
• SMILES: CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)N[C@@H](C)C(=O)N.O.O
• Title of publication: Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.
• Authors of publication: Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 509 - 514
• a: 11.218 ± 0.017 Å
• b: 14.58 ± 0.02 Å
• c: 15.75 ± 0.02 Å
• α: 90°
• β: 100.06 ± 0.03°
• γ: 90°
• Cell volume: 2536 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101.325 kPa
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2023
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No