Information card for entry 7246727

Structure parameters

• Formula: C27 H28 N2 O5
• Calculated formula: C27 H28 N2 O5
• SMILES: c1(ccc(cc1)C(=O)N[C@@H](Cc1ccc(cc1)c1ccccc1)C[C@@H](C(=O)OCC)C)N(=O)=O
• Title of publication: Synthesis and identification of new sacubitril derivatives as lead compounds for antibacterial, antifungal and antitubercular (TB) activities against dormant tuberculosis
• Authors of publication: Bhargavi, Dodda; Konduri, Srihari; Prashanth, Jyothi; Pulipati, Sowjanya; Praneeth, K. K.; Sireesha, Malladi; Rao, Koya Prabhakara
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 13540 - 13546
• a: 9.28689 ± 0.00016 Å
• b: 5.36668 ± 0.00008 Å
• c: 23.7254 ± 0.0004 Å
• α: 90°
• β: 93.097 ± 0.0008°
• γ: 90°
• Cell volume: 1180.74 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• 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: 0.0981
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No