(4R,5S,6S,7R)-1,3-Bis(Cyclohexylmethyl)-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153182-61-7]

Identification

• Name: (4R,5S,6S,7R)-1,3-Bis(Cyclohexylmethyl)-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-4,7-Bis(Benzyl)-1,3-Bis(Cyclohexylmethyl)-5,6-Dihydroxy-1,3-Diazepan-2-One; Aids-033353; 2H-1,3-Diazepin-2-One, 1,3-Bis(Cyclohexylmethyl)Hexahydro-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-, (4R,5S,6S,7R)-
• Molecular Formula: C₃₃H₄₆N₂O₃
• Molecular Weight: 518.74
• CAS Registry Number: 153182-61-7
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CC3CCCCC3)CC4CCCCC4)CC5=CC=CC=C5
• InChI: 1S/C33H46N2O3/c36-31-29(21-25-13-5-1-6-14-25)34(23-27-17-9-3-10-18-27)33(38)35(24-28-19-11-4-12-20-28)30(32(31)37)22-26-15-7-2-8-16-26/h1-2,5-8,13-16,27-32,36-37H,3-4,9-12,17-24H2/t29-,30-,31+,32+/m1/s1
• InChIKey: FADBDGCGGLEUOC-ZRTHHSRSSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 672.661°C at 760 mmHg (Cal.)
• Flash point: 360.612°C (Cal.)