(4R,5S,6S,7R)-1,3-Bis(Cyclobutylmethyl)-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153183-24-5]

Identification

• Name: (4R,5S,6S,7R)-1,3-Bis(Cyclobutylmethyl)-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-4,7-Bis(Benzyl)-1,3-Bis(Cyclobutylmethyl)-5,6-Dihydroxy-1,3-Diazepan-2-One; 2H-1,3-Diazepin-2-One, 1,3-Bis(Cyclobutylmethyl)Hexahydro-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-, (4R,5S,6S,7R)-; Aids-033351
• Molecular Formula: C₂₉H₃₈N₂O₃
• Molecular Weight: 462.63
• CAS Registry Number: 153183-24-5
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CC3CCC3)CC4CCC4)CC5=CC=CC=C5
• InChI: 1S/C29H38N2O3/c32-27-25(17-21-9-3-1-4-10-21)30(19-23-13-7-14-23)29(34)31(20-24-15-8-16-24)26(28(27)33)18-22-11-5-2-6-12-22/h1-6,9-12,23-28,32-33H,7-8,13-20H2/t25-,26-,27+,28+/m1/s1
• InChIKey: ACIVSSKFPCODPQ-VIJSPRBVSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 631.213°C at 760 mmHg (Cal.)
• Flash point: 335.546°C (Cal.)