Information card for entry 7100357

Structure parameters

• Common name: Tyrosyl-alpha-aminoisobutyryl-tyrosyl-valine dihydrate
• Formula: C27 H40 N4 O9
• Calculated formula: C27 H40 N4 O9
• SMILES: [NH3+][C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)Cc1ccc(cc1)O)(C)C)Cc1ccc(cc1)O.O.O
• Title of publication: X-ray crystallographic signature of supramolecular triple helix formation from a water soluble synthetic tetrapeptide
• Authors of publication: Arindam Banerjee; Apurba Kumar Das; Debasish Haldar; Raghurama P. Hegde; N. Shamala
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 8.807 ± 0.003 Å
• b: 8.807 ± 0.003 Å
• c: 64.67 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4344 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No