(4R,5S,6S,7R)-5,6-Dihydroxy-4,7-Bis(Naphthalen-2-Ylmethyl)-1,3-Bis(Phenylmethyl)-1,3-Diazepan-2-One
[CAS# 167826-61-1]

Identification

• Name: (4R,5S,6S,7R)-5,6-Dihydroxy-4,7-Bis(Naphthalen-2-Ylmethyl)-1,3-Bis(Phenylmethyl)-1,3-Diazepan-2-One
• Synonyms: (4R,5S,6S,7R)-5,6-Dihydroxy-4,7-Bis(2-Naphthylmethyl)-1,3-Bis(Phenylmethyl)-1,3-Diazepan-2-One; (4R,5S,6S,7R)-1,3-Bis(Benzyl)-5,6-Dihydroxy-4,7-Bis(2-Naphthylmethyl)-1,3-Diazepan-2-One; Cyclic Urea Based Hiv-1 Protease Inhibitor 19
• Molecular Formula: C₄₁H₃₈N₂O₃
• Molecular Weight: 606.76
• CAS Registry Number: 167826-61-1
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC3=C(C=C2)C=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC7=C(C=C6)C=CC=C7
• InChI: 1S/C41H38N2O3/c44-39-37(25-31-19-21-33-15-7-9-17-35(33)23-31)42(27-29-11-3-1-4-12-29)41(46)43(28-30-13-5-2-6-14-30)38(40(39)45)26-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-40,44-45H,25-28H2/t37-,38-,39+,40+/m1/s1
• InChIKey: AUTHLCQFZJFGMT-WESAGZJESA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 818.994°C at 760 mmHg (Cal.)
• Flash point: 449.111°C (Cal.)