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

Systemtic Name: bis(phenylmethyl) 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate Openeye Name: dibenzyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methylbutanoyl]amino]pentanedioate Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]glutaric acid dibenzyl ester Formula: C58H94N2O8 MolecularWeight: 947.37556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H94N2O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-35-41-51(68-55(63)42-36-28-26-24-22-20-18-16-14-12-10-8-6-2)45-53(61)60-56(48(3)4)57(64)59-52(58(65)67-47-50-39-33-30-34-40-50)43-44-54(62)66-46-49-37-31-29-32-38-49/h29-34,37-40,48,51-52,56H,5-28,35-36,41-47H2,1-4H3,(H,59,64)(H,60,61)