(3S,6S,9S,12R)-9-[6-[(2S)-Oxiran-2-Yl]-6-Oxohexyl]-3,6-Bis(Phenylmethyl)-1,4,7,10-Tetrazabicyclo[10.4.0]Hexadecane-2,5,8,11-Tetrone
[CAS# 133155-89-2]

Identification

• Name: (3S,6S,9S,12R)-9-[6-[(2S)-Oxiran-2-Yl]-6-Oxohexyl]-3,6-Bis(Phenylmethyl)-1,4,7,10-Tetrazabicyclo[10.4.0]Hexadecane-2,5,8,11-Tetrone
• Synonyms: (3S,6S,9S,12R)-9-[6-[(2S)-Oxiran-2-Yl]-6-Oxo-Hexyl]-3,6-Bis(Phenylmethyl)-1,4,7,10-Tetrazabicyclo[10.4.0]Hexadecane-2,5,8,11-Tetrone; (3S,6S,9S,12R)-9-[6-[(2S)-2-Oxiranyl]-6-Oxohexyl]-3,6-Bis(Phenylmethyl)-1,4,7,10-Tetrazabicyclo[10.4.0]Hexadecane-2,5,8,11-Tetrone; (3S,6S,9S,12R)-3,6-Bis(Benzyl)-9-[6-Keto-6-[(2S)-Oxiran-2-Yl]Hexyl]-1,4,7,10-Tetrazabicyclo[10.4.0]Hexadecane-2,5,8,11-Diquinone
• Molecular Formula: C₃₄H₄₂N₄O₆
• Molecular Weight: 602.73
• CAS Registry Number: 133155-89-2
• SMILES: [C@H]15N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCCC(=O)[C@H]2OC2)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCC5
• InChI: 1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30-/m0/s1
• InChIKey: GXVXXETYXSPSOA-UFEOFEBPSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 928.258°C at 760 mmHg (Cal.)
• Flash point: 515.192°C (Cal.)