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

Systemtic Name: bis(phenylmethyl) 2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate Openeye Name: dibenzyl 2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-2-(1-oxohexadecoxy)hexadecyl]amino]butyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methylbutanoyl]amino]pentanedioate Traditional Name: 2-[[2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoyl]amino]glutaric acid dibenzyl ester Formula: C56H90N2O8 MolecularWeight: 919.3224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H90N2O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-35-41-52(60)66-50(40-34-26-24-22-20-18-16-14-12-10-8-6-2)54(61)58-53(46(3)4)55(62)57-49(56(63)65-45-48-38-32-29-33-39-48)42-43-51(59)64-44-47-36-30-28-31-37-47/h28-33,36-39,46,49-50,53H,5-27,34-35,40-45H2,1-4H3,(H,57,62)(H,58,61)