3-(carboxymethylsulfanyl)-2-(dodecanoylamino)propanoic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-2-(dodecanoylamino)propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-(dodecanoylamino)propanoic acid CAS Name: 3-(carboxymethylthio)-2-(1-oxododecylamino)propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-(dodecanoylamino)propanoic acid Traditional Name: 3-(carboxymethylthio)-2-(lauroylamino)propionic acid Formula: C17H31NO5S MolecularWeight: 361.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CSCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CSCC(=O)O)C(=O)O

InChI

InChI=1S/C17H31NO5S/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-24-13-16(20)21/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23)