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

Systemtic Name: 16-[2-azanylpropyl-(16-hexadecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid Openeye Name: 16-[2-aminopropyl-(16-hexadecoxy-16-oxo-hexadecyl)amino]hexadecanoic acid CAS Name: 16-[2-aminopropyl-(16-hexadecoxy-16-oxohexadecyl)amino]hexadecanoic acid IUPAC Name: 16-[2-aminopropyl-(16-hexadecoxy-16-oxohexadecyl)amino]hexadecanoic acid Traditional Name: 16-[2-aminopropyl-(16-cetyloxy-16-keto-hexadecyl)amino]palmitic acid Formula: C51H102N2O4 MolecularWeight: 807.36658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H102N2O4/c1-3-4-5-6-7-8-9-10-17-22-27-32-37-42-47-57-51(56)44-39-34-29-24-19-14-12-16-21-26-31-36-41-46-53(48-49(2)52)45-40-35-30-25-20-15-11-13-18-23-28-33-38-43-50(54)55/h49H,3-48,52H2,1-2H3,(H,54,55)