N-[1-(dimethylamino)-1,1-bis(docosanoylamino)-2-methyl-pentan-2-yl]docosanamide; docosanoic acid

Systemtic Name: N-[1-(dimethylamino)-1,1-bis(docosanoylamino)-2-methyl-pentan-2-yl]docosanamide; docosanoic acid Openeye Name: N-[1-[dimethylamino-bis(docosanoylamino)methyl]-1-methyl-butyl]docosanamide; docosanoic acid CAS Name: N-[1-(dimethylamino)-2-methyl-1,1-bis(1-oxodocosylamino)pentan-2-yl]docosanamide; docosanoic acid IUPAC Name: N-[1-(dimethylamino)-1,1-bis(docosanoylamino)-2-methylpentan-2-yl]docosanamide; docosanoic acid Traditional Name: behenic acid; N-[1-[dimethylamino-bis(docosanoylamino)methyl]-1-methyl-butyl]behenamide Formula: C96H192N4O5 MolecularWeight: 1482.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C)(CCC)C(NC(=O)CCCCCCCCCCCCCCCCCCCCC)(NC(=O)CCCCCCCCCCCCCCCCCCCCC)N(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C)(CCC)C(NC(=O)CCCCCCCCCCCCCCCCCCCCC)(NC(=O)CCCCCCCCCCCCCCCCCCCCC)N(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C74H148N4O3.C22H44O2/c1-8-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-63-66-70(79)75-73(5,69-11-4)74(78(6)7,76-71(80)67-64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-9-2)77-72(81)68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-10-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h8-69H2,1-7H3,(H,75,79)(H,76,80)(H,77,81);2-21H2,1H3,(H,23,24)