(6S,12S,18S,21S)-15-[(2S)-Butan-2-Yl]-6-[(4-Hydroxyphenyl)Methyl]-12,18-Bis(2-Methylpropyl)-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone
[CAS# 158335-65-0]

Identification

• Name: (6S,12S,18S,21S)-15-[(2S)-Butan-2-Yl]-6-[(4-Hydroxyphenyl)Methyl]-12,18-Bis(2-Methylpropyl)-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone
• Synonyms: (6S,12S,18S,21S)-6-[(4-Hydroxyphenyl)Methyl]-12,18-Diisobutyl-15-Sec-Butyl-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone; (6S,12S,18S,21S)-6-(4-Hydroxybenzyl)-12,18-Diisobutyl-15-Sec-Butyl-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone; Cyclo(Gly-Pro-Leu-Ile-Leu-Gly-Tyr)
• Molecular Formula: C₃₆H₅₅N₇O₈
• Molecular Weight: 713.87
• CAS Registry Number: 158335-65-0
• SMILES: [C@@H]13N(C(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC1=O)CC(C)C)[C@H](CC)C)CC(C)C)CC2=CC=C(O)C=C2)CCC3
• InChI: 1S/C36H55N7O8/c1-7-22(6)31-36(51)41-25(15-20(2)3)32(47)37-18-29(45)39-27(17-23-10-12-24(44)13-11-23)33(48)38-19-30(46)43-14-8-9-28(43)35(50)40-26(16-21(4)5)34(49)42-31/h10-13,20-22,25-28,31,44H,7-9,14-19H2,1-6H3,(H,37,47)(H,38,48)(H,39,45)(H,40,50)(H,41,51)(H,42,49)/t22-,25-,26-,27-,28-,31?/m0/s1
• InChIKey: AEYSUFUZZXZLEV-KBPCQMSISA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 1123.883°C at 760 mmHg (Cal.)
• Flash point: 633.502°C (Cal.)