Information card for entry 2008305

Structure parameters

• Common name: d[gamma]afg
• Chemical name: Retro-enantiomeric [gammaCONH]-achatin-I, H-D-Asp-[γCONH]-D-Ala-L-Phe-Gly-OH
• Formula: C18 H24 N4 O7
• Calculated formula: C18 H24 N4 O7
• SMILES: [NH3+][C@@H](C(=O)[O-])CC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
• Title of publication: A β-turn retro-enantiomeric analogue of achatin-I, H‒<small>D</small>-Asp-[γCONH]-<small>D</small>-Ala‒<small>L</small>-Phe‒Gly‒OH
• Authors of publication: Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Minakata, Hiroyuki; Nomoto, Kyosuke
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 422 - 424
• a: 16.517 ± 0.003 Å
• b: 23.533 ± 0.005 Å
• c: 5.1124 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1987.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• 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
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No