3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-2-Oxo-4,7-Bis(Phenylmethyl)-3-[[3-(Pyrazin-2-Ylcarbamoyl)Phenyl]Methyl]-1,3-Diazepan-1-Yl]Methyl]-N-Pyrazin-2-Ylbenzamide
[CAS# 183854-80-0]

Identification

• Name: 3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-2-Oxo-4,7-Bis(Phenylmethyl)-3-[[3-(Pyrazin-2-Ylcarbamoyl)Phenyl]Methyl]-1,3-Diazepan-1-Yl]Methyl]-N-Pyrazin-2-Ylbenzamide
• Synonyms: 3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-2-Oxo-4,7-Bis(Phenylmethyl)-3-[[3-(Pyrazin-2-Ylcarbamoyl)Phenyl]Methyl]-1,3-Diazepan-1-Yl]Methyl]-N-Pyrazin-2-Yl-Benzamide; 3-[[(4R,5S,6S,7R)-5,6-Dihydroxy-2-Oxo-3-[[3-[Oxo-(2-Pyrazinylamino)Methyl]Phenyl]Methyl]-4,7-Bis(Phenylmethyl)-1,3-Diazepan-1-Yl]Methyl]-N-(2-Pyrazinyl)Benzamide; 3-[[(4R,5S,6S,7R)-4,7-Bis(Benzyl)-5,6-Dihydroxy-2-Keto-3-[3-(Pyrazin-2-Ylcarbamoyl)Benzyl]-1,3-Diazepan-1-Yl]Methyl]-N-Pyrazin-2-Yl-Benzamide
• Molecular Formula: C₄₃H₄₀N₈O₅
• Molecular Weight: 748.84
• CAS Registry Number: 183854-80-0
• 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=CN=CC=N4)CC5=CC=CC(=C5)C(=O)NC6=NC=CN=C6)CC7=CC=CC=C7
• InChI: 1S/C43H40N8O5/c52-39-35(23-29-9-3-1-4-10-29)50(27-31-13-7-15-33(21-31)41(54)48-37-25-44-17-19-46-37)43(56)51(36(40(39)53)24-30-11-5-2-6-12-30)28-32-14-8-16-34(22-32)42(55)49-38-26-45-18-20-47-38/h1-22,25-26,35-36,39-40,52-53H,23-24,27-28H2,(H,46,48,54)(H,47,49,55)/t35-,36-,39+,40+/m1/s1
• InChIKey: JIICMIOQFYIENG-JFDQHVTASA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 867.125°C at 760 mmHg (Cal.)
• Flash point: 478.22°C (Cal.)