sodium 2-(dodecanoylamino)-3-oxidanyl-butanoic acid

Systemtic Name: sodium 2-(dodecanoylamino)-3-oxidanyl-butanoic acid Openeye Name: sodium 2-(dodecanoylamino)-3-hydroxy-butanoic acid CAS Name: sodium 3-hydroxy-2-(1-oxododecylamino)butanoic acid IUPAC Name: sodium 2-(dodecanoylamino)-3-hydroxybutanoic acid Traditional Name: sodium 3-hydroxy-2-(lauroylamino)butyric acid Formula: C16H31NNaO4+ MolecularWeight: 324.41141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C(C)O)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(C(C)O)C(=O)O.[Na+]

InChI

InChI=1S/C16H31NO4.Na/c1-3-4-5-6-7-8-9-10-11-12-14(19)17-15(13(2)18)16(20)21;/h13,15,18H,3-12H2,1-2H3,(H,17,19)(H,20,21);/q;+1