(3S,6S,9S,12R)-9-[2-[(2S)-Oxiran-2-Yl]-2-Oxoethyl]-3,6-Bis(Phenylmethyl)-1,4,7-Triazabicyclo[10.3.0]Pentadecane-2,5,8,11-Tetrone
[CAS 133155-90-5]

Identification

• Name: (3S,6S,9S,12R)-9-[2-[(2S)-Oxiran-2-Yl]-2-Oxoethyl]-3,6-Bis(Phenylmethyl)-1,4,7-Triazabicyclo[10.3.0]Pentadecane-2,5,8,11-Tetrone
• Synonyms: (3S,6S,9S,12R)-9-[2-[(2S)-Oxiran-2-Yl]-2-Oxo-Ethyl]-3,6-Bis(Phenylmethyl)-1,4,7-Triazabicyclo[10.3.0]Pentadecane-2,5,8,11-Tetrone; (3S,6S,9S,12R)-9-[2-[(2S)-2-Oxiranyl]-2-Oxoethyl]-3,6-Bis(Phenylmethyl)-1,4,7-Triazabicyclo[10.3.0]Pentadecane-2,5,8,11-Tetrone; (3S,6S,9S,12R)-3,6-Bis(Benzyl)-9-[2-Keto-2-[(2S)-Oxiran-2-Yl]Ethyl]-1,4,7-Triazabicyclo[10.3.0]Pentadecane-2,5,8,11-Diquinone
• Molecular Formula: C₃₀H₃₃N₃O₆
• Molecular Weight: 531.61
• CAS Registry Number: 133155-90-5
• SMILES: [C@H]15N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC1=O)CC(=O)[C@H]2OC2)CC3=CC=CC=C3)CC4=CC=CC=C4)CCC5
• InChI: 1S/C30H33N3O6/c34-25-16-21(17-26(35)27-18-39-27)28(36)31-22(14-19-8-3-1-4-9-19)29(37)32-23(15-20-10-5-2-6-11-20)30(38)33-13-7-12-24(25)33/h1-6,8-11,21-24,27H,7,12-18H2,(H,31,36)(H,32,37)/t21-,22-,23-,24+,27-/m0/s1
• InChIKey: HRLNGCKZKAHAOH-CPASSRBFSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 860.49°C at 760 mmHg (Cal.)
• Flash point: 474.207°C (Cal.)