Benzyl N-{[2'-(1-Trityl-1H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-L-Valinate
[CAS# 137864-45-0]

Identification

• Name: Benzyl N-{[2'-(1-Trityl-1H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-L-Valinate
• Synonyms: (S)-benzyl 3-methyl-2-(((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)butanoate
• Molecular Formula: C₄₅H₄₁N₅O₂
• Molecular Weight: 683.84
• CAS Registry Number: 137864-45-0
• SMILES: O=C(OCc1ccccc1)[C@@H](NCc2ccc(cc2)c7ccccc7c3nnnn3C(c4ccccc4)(c5ccccc5)c6ccccc6)C(C)C
• InChI: 1S/C45H41N5O2/c1-33(2)42(44(51)52-32-35-17-7-3-8-18-35)46-31-34-27-29-36(30-28-34)40-25-15-16-26-41(40)43-47-48-49-50(43)45(37-19-9-4-10-20-37,38-21-11-5-12-22-38)39-23-13-6-14-24-39/h3-30,33,42,46H,31-32H2,1-2H3/t42-/m0/s1
• InChIKey: MGBJPNDAJWSIAT-WBCKFURZSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 825.641°C at 760 mmHg (Cal.)
• Flash point: 453.131°C (Cal.)
• Refractive index: 1.629 (Cal.)