4-diphenoxyphosphoryloxy-2-(3-dodecanoyloxytetradecanoylamino)butanoic acid

Systemtic Name: 4-diphenoxyphosphoryloxy-2-(3-dodecanoyloxytetradecanoylamino)butanoic acid Openeye Name: 4-diphenoxyphosphoryloxy-2-(3-dodecanoyloxytetradecanoylamino)butanoic acid CAS Name: 4-diphenoxyphosphoryloxy-2-[[1-oxo-3-(1-oxododecoxy)tetradecyl]amino]butanoic acid IUPAC Name: 4-diphenoxyphosphoryloxy-2-(3-dodecanoyloxytetradecanoylamino)butanoic acid Traditional Name: 4-diphenoxyphosphoryloxy-2-(3-lauroyloxytetradecanoylamino)butyric acid Formula: C42H66NO9P MolecularWeight: 759.948501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC(CCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C(=O)O)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)NC(CCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C(=O)O)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C42H66NO9P/c1-3-5-7-9-11-13-15-17-21-31-38(50-41(45)32-26-18-16-14-12-10-8-6-4-2)35-40(44)43-39(42(46)47)33-34-49-53(48,51-36-27-22-19-23-28-36)52-37-29-24-20-25-30-37/h19-20,22-25,27-30,38-39H,3-18,21,26,31-35H2,1-2H3,(H,43,44)(H,46,47)