Information card for entry 4020421

Structure parameters

• Formula: C25 H45 N3 O5
• Calculated formula: C25 H45 N3 O5
• SMILES: O=C1N(C[C@@H]([C@H]1C(=O)NCCCC)[C@@H]1OC(N([C@H]1CC(C)C)C(=O)OC(C)(C)C)(C)C)CC.O=C1N(C[C@H]([C@@H]1C(=O)NCCCC)[C@H]1OC(N([C@@H]1CC(C)C)C(=O)OC(C)(C)C)(C)C)CC
• Title of publication: Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids
• Authors of publication: Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6746 - 6756
• a: 23.472 ± 0.009 Å
• b: 15.475 ± 0.004 Å
• c: 19.37 ± 0.004 Å
• α: 90°
• β: 125.82 ± 0.02°
• γ: 90°
• Cell volume: 5705 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No