2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propanoyl]amino]glutaric acid Formula: C48H82N2O8 MolecularWeight: 815.17328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C48H82N2O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-46(54)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)39-44(51)49-43(38-40-32-28-27-29-33-40)47(55)50-42(48(56)57)36-37-45(52)53/h27-29,32-33,41-43H,3-26,30-31,34-39H2,1-2H3,(H,49,51)(H,50,55)(H,52,53)(H,56,57)