2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[1-oxo-3-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-phenyl-propionic acid Formula: C46H80N2O6 MolecularWeight: 757.1372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H80N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(54-45(51)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)39-44(50)47-37-36-43(49)48-42(46(52)53)38-40-32-28-27-29-33-40/h27-29,32-33,41-42H,3-26,30-31,34-39H2,1-2H3,(H,47,50)(H,48,49)(H,52,53)