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

Systemtic Name: 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxy-propanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-3-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxy-propionic acid Formula: C40H76N2O7 MolecularWeight: 697.04064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NCCC(=O)NC(CO)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NCCC(=O)NC(CO)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C40H76N2O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(33-38(45)41-32-31-37(44)42-36(34-43)40(47)48)49-39(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,43H,3-34H2,1-2H3,(H,41,45)(H,42,44)(H,47,48)