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

Systemtic Name: 2-[2-(3-hexadecanoyloxyoctadecanoylamino)ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]-3-hydroxy-propanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]ethyl]amino]propanoic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]-3-hydroxy-propionic acid Formula: C39H74N2O7 MolecularWeight: 683.01406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H74N2O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(31-36(43)40-32-37(44)41-35(33-42)39(46)47)48-38(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,42H,3-33H2,1-2H3,(H,40,43)(H,41,44)(H,46,47)