bis(phenylmethyl) 2-[[2-(hexadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate

Systemtic Name: bis(phenylmethyl) 2-[[2-(hexadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate Openeye Name: dibenzyl 2-[[2-(hexadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate CAS Name: 2-[[3-methyl-1-oxo-2-(1-oxohexadecylamino)butyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-(hexadecanoylamino)-3-methylbutanoyl]amino]pentanedioate Traditional Name: 2-[(3-methyl-2-palmitamido-butanoyl)amino]glutaric acid dibenzyl ester Formula: C40H60N2O6 MolecularWeight: 664.9142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C40H60N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-27-36(43)42-38(32(2)3)39(45)41-35(40(46)48-31-34-25-20-17-21-26-34)28-29-37(44)47-30-33-23-18-16-19-24-33/h16-21,23-26,32,35,38H,4-15,22,27-31H2,1-3H3,(H,41,45)(H,42,43)