N,N',N''-[(2,4,6-Trioxo-1,3,5-Triazine-1,3,5(2H,4H,6H)-Triyl)Tris[Methylene(3,5,5-Trimethylcyclohexane-3,1-Diyl)]]Tris[Hexahydro-2-Oxo-1H-Azepine-1-Carboxamide]
[CAS# 68975-83-7]

Identification

• Name: N,N',N''-[(2,4,6-Trioxo-1,3,5-Triazine-1,3,5(2H,4H,6H)-Triyl)Tris[Methylene(3,5,5-Trimethylcyclohexane-3,1-Diyl)]]Tris[Hexahydro-2-Oxo-1H-Azepine-1-Carboxamide]
• Synonyms: 2-Oxo-N-[3,3,5-Trimethyl-5-[[2,4,6-Trioxo-3,5-Bis[[1,3,3-Trimethyl-5-[[Oxo-(2-Oxo-1-Azepanyl)Methyl]Amino]Cyclohexyl]Methyl]-1,3,5-Triazinan-1-Yl]Methyl]Cyclohexyl]-1-Azepanecarboxamide; 2-Keto-N-[3,3,5-Trimethyl-5-[[2,4,6-Triketo-3,5-Bis[[5-[(2-Ketoazepane-1-Carbonyl)Amino]-1,3,3-Trimethyl-Cyclohexyl]Methyl]-1,3,5-Triazinan-1-Yl]Methyl]Cyclohexyl]Azepane-1-Carboxamide; 2-Oxo-N-[3,3,5-Trimethyl-5-[[2,4,6-Trioxo-3,5-Bis[[1,3,3-Trimethyl-5-[(2-Oxoazepan-1-Yl)Carbonylamino]Cyclohexyl]Methyl]-1,3,5-Triazinan-1-Yl]Methyl]Cyclohexyl]Azepane-1-Carboxamide
• Molecular Formula: C₅₄H₈₇N₉O₉
• Molecular Weight: 1006.34
• CAS Registry Number: 68975-83-7
• EINECS: 273-482-5
• SMILES: C(N1C(=O)N(C(=O)N(C1=O)CC3(CC(CC(NC(=O)N2C(=O)CCCCC2)C3)(C)C)C)CC5(CC(CC(NC(=O)N4C(=O)CCCCC4)C5)(C)C)C)C7(CC(CC(NC(=O)N6C(=O)CCCCC6)C7)(C)C)C
• InChI: 1S/C54H87N9O9/c1-49(2)25-37(55-43(67)58-22-16-10-13-19-40(58)64)28-52(7,31-49)34-61-46(70)62(35-53(8)29-38(26-50(3,4)32-53)56-44(68)59-23-17-11-14-20-41(59)65)48(72)63(47(61)71)36-54(9)30-39(27-51(5,6)33-54)57-45(69)60-24-18-12-15-21-42(60)66/h37-39H,10-36H2,1-9H3,(H,55,67)(H,56,68)(H,57,69)
• InChIKey: XAUGVXXNNOTSRJ-UHFFFAOYSA-N

Properties

• Density: 1.249g/cm³ (Cal.)