(6S,9S,12S,15S,18S)-6,9,15-Tris(Phenylmethyl)-12-Propan-2-Yl-1,4,7,10,13,16-Hexazabicyclo[16.3.0]Henicosane-2,5,8,11,14,17-Hexone
[CAS# 144838-26-6]

Identification

• Name: (6S,9S,12S,15S,18S)-6,9,15-Tris(Phenylmethyl)-12-Propan-2-Yl-1,4,7,10,13,16-Hexazabicyclo[16.3.0]Henicosane-2,5,8,11,14,17-Hexone
• Synonyms: (6S,9S,12S,15S,18S)-12-Isopropyl-6,9,15-Tris(Phenylmethyl)-1,4,7,10,13,16-Hexazabicyclo[16.3.0]Henicosane-2,5,8,11,14,17-Hexone; (6S,9S,12S,15S,18S)-6,9,15-Tris(Benzyl)-12-Isopropyl-1,4,7,10,13,16-Hexazabicyclo[16.3.0]Henicosane-2,5,8,11,14,17-Triquinone; Cyclo(Gly-Pro-Phe-Val-Phe-Phe)
• Molecular Formula: C₃₉H₄₆N₆O₆
• Molecular Weight: 694.83
• CAS Registry Number: 144838-26-6
• SMILES: [C@@H]15N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=CC=C2)C(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)CCC5
• InChI: 1S/C39H46N6O6/c1-25(2)34-39(51)43-30(22-27-15-8-4-9-16-27)36(48)41-29(21-26-13-6-3-7-14-26)35(47)40-24-33(46)45-20-12-19-32(45)38(50)42-31(37(49)44-34)23-28-17-10-5-11-18-28/h3-11,13-18,25,29-32,34H,12,19-24H2,1-2H3,(H,40,47)(H,41,48)(H,42,50)(H,43,51)(H,44,49)/t29-,30-,31-,32-,34-/m0/s1
• InChIKey: ICFMHQOZABXAMR-JOBLXHLTSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 1080.588°C at 760 mmHg (Cal.)
• Flash point: 607.317°C (Cal.)