Information card for entry 8100258

Structure parameters

• Common name: N-tert-butyloxy-carbonyl-alanyl-dehydro-phenylalanyl- dehydro-phenylalanyl-alanine methyl ester
• Formula: C30 H36 N4 O7
• Calculated formula: C30 H36 N4 O7
• SMILES: C(C)(C)(C)OC(=O)N[C@@H](C)C(=O)NC(=Cc1ccccc1)C(=O)NC(=Cc1ccccc1)\C(=O)N[C@@H](C)C(=O)OC
• Title of publication: Crystal structure of tertiary butyloxycarbonyl-L-Ala-ΔPhe-ΔPhe- L-Ala-OCH~3~, C~30~H~36~N~4~O~7~
• Authors of publication: Makker, J.; Sahini, G.; Goel, V.; Dey, S.; Singh, T.P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 1
• Pages of publication: 55 - 56
• a: 15.132 ± 0.005 Å
• b: 15.132 ± 0.005 Å
• c: 24.23 ± 0.02 Å
• α: 90 ± 0.05°
• β: 90 ± 0.05°
• γ: 120 ± 0.03°
• Cell volume: 4805 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No