2-[(dodecanoylamino)methyl-dimethyl-azaniumyl]-2-(propanoylamino)pentanoate

Systemtic Name: 2-[(dodecanoylamino)methyl-dimethyl-azaniumyl]-2-(propanoylamino)pentanoate Openeye Name: 2-[(dodecanoylamino)methyl-dimethyl-ammonio]-2-(propanoylamino)pentanoate CAS Name: 2-[dimethyl-[(1-oxododecylamino)methyl]ammonio]-2-(1-oxopropylamino)pentanoate IUPAC Name: 2-[(dodecanoylamino)methyl-dimethylazaniumyl]-2-(propanoylamino)pentanoate Traditional Name: 2-[(lauroylamino)methyl-dimethyl-ammonio]-2-propionamido-valerate Formula: C23H45N3O4 MolecularWeight: 427.6211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC[N+](C)(C)C(CCC)(C(=O)[O-])NC(=O)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC[N+](C)(C)C(CCC)(C(=O)[O-])NC(=O)CC

InChI

InChI=1S/C23H45N3O4/c1-6-9-10-11-12-13-14-15-16-17-21(28)24-19-26(4,5)23(18-7-2,22(29)30)25-20(27)8-3/h6-19H2,1-5H3,(H2-,24,25,27,28,29,30)