Information card for entry 4114550

Structure parameters

• Chemical name: (3S,4R)-1-(3-aza-4-carboxy-4-methyl-2-oxopentyl)-3-benzyl-3- tert-butoxicarbonylamino-4-isobutylazetidin-2-one
• Formula: C25 H37 N3 O6
• Calculated formula: C25 H37 N3 O6
• Title of publication: Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin
• Authors of publication: Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 16243 - 16260
• a: 15.0005 ± 0.0001 Å
• b: 15.0005 ± 0.0001 Å
• c: 21.8165 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4251.35 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No