Cyclo(Prolylphenylalanyl-epsilon-Aminocaproyl)
[CAS# 91870-41-6]

Identification

• Name: Cyclo(Prolylphenylalanyl-epsilon-Aminocaproyl)
• Synonyms: 10-(Benzyl)-1,8,11-Triazabicyclo[11.3.0]Hexadecane-2,9,12-Trione; Cyclo(Prolylphenylalanyl-Epsilon-Aminocaproyl); Cyclo(Pro-Phe-Aca)
• Molecular Formula: C₂₀H₂₇N₃O₃
• Molecular Weight: 357.45
• CAS Registry Number: 91870-41-6
• SMILES: C3=C(CC1NC(=O)C2N(C(=O)CCCCCNC1=O)CCC2)C=CC=C3
• InChI: 1S/C20H27N3O3/c24-18-11-5-2-6-12-21-19(25)16(14-15-8-3-1-4-9-15)22-20(26)17-10-7-13-23(17)18/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H,21,25)(H,22,26)
• InChIKey: XLYAAACVHBCJDF-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 677.813°C at 760 mmHg (Cal.)
• Flash point: 363.728°C (Cal.)