(4R,5S,6S,7R)-1,3-Bis(Cyclopentylmethyl)-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 153183-25-6]

Identification

• Name: (4R,5S,6S,7R)-1,3-Bis(Cyclopentylmethyl)-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-4,7-Bis(Benzyl)-1,3-Bis(Cyclopentylmethyl)-5,6-Dihydroxy-1,3-Diazepan-2-One; Aids033352; 2H-1,3-Diazepin-2-One, 1,3-Bis(Cyclopentylmethyl)Hexahydro-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-, (4R,5S,6S,7R)-
• Molecular Formula: C₃₁H₄₂N₂O₃
• Molecular Weight: 490.68
• CAS Registry Number: 153183-25-6
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CC3CCCC3)CC4CCCC4)CC5=CC=CC=C5
• InChI: 1S/C31H42N2O3/c34-29-27(19-23-11-3-1-4-12-23)32(21-25-15-7-8-16-25)31(36)33(22-26-17-9-10-18-26)28(30(29)35)20-24-13-5-2-6-14-24/h1-6,11-14,25-30,34-35H,7-10,15-22H2/t27-,28-,29+,30+/m1/s1
• InChIKey: QZTNLTALZBMNPA-XAZDILKDSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 652.049°C at 760 mmHg (Cal.)
• Flash point: 348.147°C (Cal.)