6-azanyl-2-[di(hexanoyl)amino]hexanoic acid; prop-2-enamide

Systemtic Name: 6-azanyl-2-[di(hexanoyl)amino]hexanoic acid; prop-2-enamide Openeye Name: 6-amino-2-[di(hexanoyl)amino]hexanoic acid; prop-2-enamide CAS Name: 6-amino-2-[bis(1-oxohexyl)amino]hexanoic acid; 2-propenamide IUPAC Name: 6-amino-2-[di(hexanoyl)amino]hexanoic acid; prop-2-enamide Traditional Name: acrylamide; 6-amino-2-(dicaproylamino)hexanoic acid Formula: C21H39N3O5 MolecularWeight: 413.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C(CCCCN)C(=O)O)C(=O)CCCCC.C=CC(=O)N

Isomeric SMILES

CCCCCC(=O)N(C(CCCCN)C(=O)O)C(=O)CCCCC.C=CC(=O)N

InChI

InChI=1S/C18H34N2O4.C3H5NO/c1-3-5-7-12-16(21)20(17(22)13-8-6-4-2)15(18(23)24)11-9-10-14-19;1-2-3(4)5/h15H,3-14,19H2,1-2H3,(H,23,24);2H,1H2,(H2,4,5)