2-azanyl-N-[2-(dimethylamino)-3-(icosanoylamino)-3-methyl-hexan-2-yl]docosanamide

Systemtic Name: 2-azanyl-N-[2-(dimethylamino)-3-(icosanoylamino)-3-methyl-hexan-2-yl]docosanamide Openeye Name: 2-amino-N-[1-(dimethylamino)-2-(icosanoylamino)-1,2-dimethyl-pentyl]docosanamide CAS Name: 2-amino-N-[2-(dimethylamino)-3-methyl-3-(1-oxoeicosylamino)hexan-2-yl]docosanamide IUPAC Name: 2-amino-N-[2-(dimethylamino)-3-(icosanoylamino)-3-methylhexan-2-yl]docosanamide Traditional Name: 2-amino-N-[1-(dimethylamino)-2-(eicosanoylamino)-1,2-dimethyl-pentyl]behenamide Formula: C51H104N4O2 MolecularWeight: 805.39706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(C)(C(C)(CCC)NC(=O)CCCCCCCCCCCCCCCCCCC)N(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(C)(C(C)(CCC)NC(=O)CCCCCCCCCCCCCCCCCCC)N(C)C)N

InChI

InChI=1S/C51H104N4O2/c1-8-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-47(52)49(57)54-51(5,55(6)7)50(4,46-10-3)53-48(56)45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-9-2/h47H,8-46,52H2,1-7H3,(H,53,56)(H,54,57)