2-oxidanylidene-N-[3,3,5-trimethyl-5-[[2,4,6-tris(oxidanylidene)-3,5-bis[[1,3,3-trimethyl-5-[(2-oxidanylideneazepan-1-yl)carbonylamino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide

Systemtic Name: 2-oxidanylidene-N-[3,3,5-trimethyl-5-[[2,4,6-tris(oxidanylidene)-3,5-bis[[1,3,3-trimethyl-5-[(2-oxidanylideneazepan-1-yl)carbonylamino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide Openeye Name: 2-oxo-N-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide CAS Name: 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 IUPAC Name: 2-oxo-N-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide Traditional Name: 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 Formula: C54H87N9O9 MolecularWeight: 1006.32348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CN2C(=O)N(C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)NC(=O)N4CCCCCC4=O)C)CC5(CC(CC(C5)(C)C)NC(=O)N6CCCCCC6=O)C)NC(=O)N7CCCCCC7=O)C

Isomeric SMILES

CC1(CC(CC(C1)(C)CN2C(=O)N(C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)NC(=O)N4CCCCCC4=O)C)CC5(CC(CC(C5)(C)C)NC(=O)N6CCCCCC6=O)C)NC(=O)N7CCCCCC7=O)C

InChI

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)