Information card for entry 8100268

Structure parameters

• Common name: butyloxycarbonyl-tryptophan(N^indole^-formyl)-dehydro-phenylalanyl-isoleucyl- dehydro-phenylalanyl-Leucine-methyl ester
• Formula: C48 H59 N6 O10
• Calculated formula: C48 H53 N6 O10
• SMILES: CC(C)(C)OC(=O)N[C@H](Cc1c2c(n(c1)C=O)cccc2)C(=O)NC(=Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](C[C@@H](C)C)C(=O)OC.O
• Title of publication: Crystal structure of Boc-Trp(CHO)-ΔPhe-Ile-ΔPhe-Leu-OCH~3~, C~48~H~59~N~6~O~10~
• Authors of publication: Vijayaraghavan, R.; Makker, J.; Kumar, P.; 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: 52 - 54
• a: 19.276 ± 0.005 Å
• b: 19.439 ± 0.005 Å
• c: 13.352 ± 0.005 Å
• α: 90 ± 0.05°
• β: 90 ± 0.05°
• γ: 90 ± 0.05°
• Cell volume: 5003 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No