6-azanyl-2-[(18-octadecanoyloxy-18-oxidanylidene-octadecyl)amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[(18-octadecanoyloxy-18-oxidanylidene-octadecyl)amino]hexanoic acid Openeye Name: 6-amino-2-[(18-octadecanoyloxy-18-oxo-octadecyl)amino]hexanoic acid CAS Name: 6-amino-2-[[18-oxo-18-(1-oxooctadecoxy)octadecyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[(18-octadecanoyloxy-18-oxooctadecyl)amino]hexanoic acid Traditional Name: 6-amino-2-[(18-keto-18-stearoyloxy-octadecyl)amino]hexanoic acid Formula: C42H82N2O5 MolecularWeight: 695.11088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCCNC(CCCCN)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCCNC(CCCCN)C(=O)O

InChI

InChI=1S/C42H82N2O5/c1-2-3-4-5-6-7-8-9-11-14-17-20-23-26-29-35-40(45)49-41(46)36-30-27-24-21-18-15-12-10-13-16-19-22-25-28-33-38-44-39(42(47)48)34-31-32-37-43/h39,44H,2-38,43H2,1H3,(H,47,48)