Information card for entry 2015336

Structure parameters

• Common name: Z-Val-Aib-Hyp(OBn)-OMe
• Chemical name: methyl (4R)-N-(benzyloxycarbonyl)valyl-2-methylalanyl-4-(benzyloxy)prolinate
• Formula: C30 H39 N3 O7
• Calculated formula: C30 H39 N3 O7
• SMILES: O(Cc1ccccc1)C(=O)N[C@H](C(=O)NC(C(=O)N1[C@H](C(=O)OC)C[C@@H](OCc2ccccc2)C1)(C)C)C(C)C
• Title of publication: Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe
• Authors of publication: Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o249 - o252
• a: 6.2705 ± 0.0001 Å
• b: 9.7577 ± 0.0002 Å
• c: 13.2491 ± 0.0003 Å
• α: 106.648 ± 0.0013°
• β: 94.2733 ± 0.001°
• γ: 105.726 ± 0.0012°
• Cell volume: 737.36 ± 0.03 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes