3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-2-Oxo-4,7-Bis(Phenylmethyl)-3-[[3-(2,2,2-Trifluoroethylcarbamoyl)Phenyl]Methyl]-1,3-Diazepan-1-Yl]Methyl]-N-(2,2,2-Trifluoroethyl)Benzamide
[CAS# 183860-46-0]

Identification

• Name: 3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-2-Oxo-4,7-Bis(Phenylmethyl)-3-[[3-(2,2,2-Trifluoroethylcarbamoyl)Phenyl]Methyl]-1,3-Diazepan-1-Yl]Methyl]-N-(2,2,2-Trifluoroethyl)Benzamide
• Synonyms: 3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-2-Oxo-3-[[3-[Oxo-(2,2,2-Trifluoroethylamino)Methyl]Phenyl]Methyl]-4,7-Bis(Phenylmethyl)-1,3-Diazepan-1-Yl]Methyl]-N-(2,2,2-Trifluoroethyl)Benzamide; 3-[[(4R,5S,6S,7R)-4,7-Bis(Benzyl)-5,6-Dihydroxy-2-Keto-3-[3-(2,2,2-Trifluoroethylcarbamoyl)Benzyl]-1,3-Diazepan-1-Yl]Methyl]-N-(2,2,2-Trifluoroethyl)Benzamide; (4A.Alpha.,5.Alpha.,6.Beta.,7.Beta.)-3,3'-[Tetrahydro-5,6-Dihydroxy-2-Oxo-4,7-Bis(Phenylmethy)-1H-1,3-Diazepine-1,3(2H)-Diyl]Bis(Methylene)Bis[N-(2,2,2-Trifluoroethyl)Benzamide]
• Molecular Formula: C₃₉H₃₈F₆N₄O₅
• Molecular Weight: 756.74
• CAS Registry Number: 183860-46-0
• SMILES: [C@@H]1(N(C(=O)N([C@@H]([C@H](O)[C@H]1O)CC2=CC=CC=C2)CC3=CC(=CC=C3)C(=O)NCC(F)(F)F)CC4=CC(=CC=C4)C(=O)NCC(F)(F)F)CC5=CC=CC=C5
• InChI: 1S/C39H38F6N4O5/c40-38(41,42)23-46-35(52)29-15-7-13-27(17-29)21-48-31(19-25-9-3-1-4-10-25)33(50)34(51)32(20-26-11-5-2-6-12-26)49(37(48)54)22-28-14-8-16-30(18-28)36(53)47-24-39(43,44)45/h1-18,31-34,50-51H,19-24H2,(H,46,52)(H,47,53)/t31-,32-,33+,34+/m1/s1
• InChIKey: UVWWXOZKXJOILJ-WZJLIZBTSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 844.867°C at 760 mmHg (Cal.)
• Flash point: 464.759°C (Cal.)