16-[2-azanylpropyl-(16-oxidanylidene-16-tetradecoxy-hexadecyl)amino]hexadecanoic acid

Systemtic Name: 16-[2-azanylpropyl-(16-oxidanylidene-16-tetradecoxy-hexadecyl)amino]hexadecanoic acid Openeye Name: 16-[2-aminopropyl-(16-oxo-16-tetradecoxy-hexadecyl)amino]hexadecanoic acid CAS Name: 16-[2-aminopropyl-(16-oxo-16-tetradecoxyhexadecyl)amino]hexadecanoic acid IUPAC Name: 16-[2-aminopropyl-(16-oxo-16-tetradecoxyhexadecyl)amino]hexadecanoic acid Traditional Name: 16-[2-aminopropyl-(16-keto-16-myristyloxy-hexadecyl)amino]palmitic acid Formula: C49H98N2O4 MolecularWeight: 779.31342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C49H98N2O4/c1-3-4-5-6-7-8-9-20-25-30-35-40-45-55-49(54)42-37-32-27-22-17-13-11-15-19-24-29-34-39-44-51(46-47(2)50)43-38-33-28-23-18-14-10-12-16-21-26-31-36-41-48(52)53/h47H,3-46,50H2,1-2H3,(H,52,53)