bis(phenylmethyl) 5-[[[2-(1-adamantylmethylcarbamoyl)phenyl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 5-[[[2-(1-adamantylmethylcarbamoyl)phenyl]carbonyl-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-[[[2-(1-adamantylmethylcarbamoyl)benzoyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[[2-[(1-adamantylmethylamino)-oxomethyl]phenyl]-oxomethyl]-phenethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-[[[2-(1-adamantylmethylcarbamoyl)benzoyl]-phenethylcarbamoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[[2-(1-adamantylmethylcarbamoyl)benzoyl]-phenethyl-carbamoyl]amino]benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C50H49N3O7 MolecularWeight: 803.93996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=CC=C4C(=O)N(CCC5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)OCC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=CC=C4C(=O)N(CCC5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)OCC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

InChI

InChI=1S/C50H49N3O7/c54-45(51-33-50-28-37-22-38(29-50)24-39(23-37)30-50)43-18-10-11-19-44(43)46(55)53(21-20-34-12-4-1-5-13-34)49(58)52-42-26-40(47(56)59-31-35-14-6-2-7-15-35)25-41(27-42)48(57)60-32-36-16-8-3-9-17-36/h1-19,25-27,37-39H,20-24,28-33H2,(H,51,54)(H,52,58)