2-[(2,6-dimethylphenyl)-(2-sulfanylethanoyl)amino]propanoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)-(2-sulfanylethanoyl)amino]propanoic acid Openeye Name: 2-(2,6-dimethyl-N-(2-sulfanylacetyl)anilino)propanoic acid CAS Name: 2-(N-(2-mercapto-1-oxoethyl)-2,6-dimethylanilino)propanoic acid IUPAC Name: 2-(2,6-dimethyl-N-(2-sulfanylacetyl)anilino)propanoic acid Traditional Name: 2-(N-(2-mercaptoacetyl)-2,6-dimethyl-anilino)propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)CS

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)CS

InChI

InChI=1S/C13H17NO3S/c1-8-5-4-6-9(2)12(8)14(11(15)7-18)10(3)13(16)17/h4-6,10,18H,7H2,1-3H3,(H,16,17)