3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-3-[[3-[(5-Methylpyridin-2-Yl)Carbamoyl]Phenyl]Methyl]-2-Oxo-4,7-Bis(Phenylmethyl)-1,3-Diazepan-1-Yl]Methyl]-N-(5-Methylpyridin-2-Yl)Benzamide
[CAS# 183854-98-0]

Identification

• Name: 3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-3-[[3-[(5-Methylpyridin-2-Yl)Carbamoyl]Phenyl]Methyl]-2-Oxo-4,7-Bis(Phenylmethyl)-1,3-Diazepan-1-Yl]Methyl]-N-(5-Methylpyridin-2-Yl)Benzamide
• Synonyms: 3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-3-[[3-[(5-Methyl-2-Pyridyl)Carbamoyl]Phenyl]Methyl]-2-Oxo-4,7-Bis(Phenylmethyl)-1,3-Diazepan-1-Yl]Methyl]-N-(5-Methyl-2-Pyridyl)Benzamide; 3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-3-[[3-[[(5-Methyl-2-Pyridyl)Amino]-Oxomethyl]Phenyl]Methyl]-2-Oxo-4,7-Bis(Phenylmethyl)-1,3-Diazepan-1-Yl]Methyl]-N-(5-Methyl-2-Pyridyl)Benzamide; 3-[[(4R,5S,6S,7R)-4,7-Bis(Benzyl)-5,6-Dihydroxy-2-Keto-3-[3-[(5-Methyl-2-Pyridyl)Carbamoyl]Benzyl]-1,3-Diazepan-1-Yl]Methyl]-N-(5-Methyl-2-Pyridyl)Benzamide
• Molecular Formula: C₄₇H₄₆N₆O₅
• Molecular Weight: 774.92
• CAS Registry Number: 183854-98-0
• 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)NC4=NC=C(C=C4)C)CC5=CC(=CC=C5)C(=O)NC6=CC=C(C=N6)C)CC7=CC=CC=C7
• InChI: 1S/C47H46N6O5/c1-31-19-21-41(48-27-31)50-45(56)37-17-9-15-35(23-37)29-52-39(25-33-11-5-3-6-12-33)43(54)44(55)40(26-34-13-7-4-8-14-34)53(47(52)58)30-36-16-10-18-38(24-36)46(57)51-42-22-20-32(2)28-49-42/h3-24,27-28,39-40,43-44,54-55H,25-26,29-30H2,1-2H3,(H,48,50,56)(H,49,51,57)/t39-,40-,43+,44+/m1/s1
• InChIKey: NLVWCIHYQHCPFO-RRHZFJGQSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 875.967°C at 760 mmHg (Cal.)
• Flash point: 483.567°C (Cal.)