2-(dimethylamino)-3-(hexadecanoylamino)pentanoic acid

Systemtic Name: 2-(dimethylamino)-3-(hexadecanoylamino)pentanoic acid Openeye Name: 2-(dimethylamino)-3-(hexadecanoylamino)pentanoic acid CAS Name: 2-(dimethylamino)-3-(1-oxohexadecylamino)pentanoic acid IUPAC Name: 2-(dimethylamino)-3-(hexadecanoylamino)pentanoic acid Traditional Name: 2-(dimethylamino)-3-palmitamido-valeric acid Formula: C23H46N2O3 MolecularWeight: 398.62294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC)C(C(=O)O)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CC)C(C(=O)O)N(C)C

InChI

InChI=1S/C23H46N2O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(26)24-20(6-2)22(23(27)28)25(3)4/h20,22H,5-19H2,1-4H3,(H,24,26)(H,27,28)