3-sulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-sulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoic acid Openeye Name: 3-sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid CAS Name: 3-mercapto-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid Traditional Name: 3-mercapto-2-[(3,4,5-trimethoxybenzoyl)amino]propionic acid Formula: C13H17NO6S MolecularWeight: 315.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CS)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-18-9-4-7(5-10(19-2)11(9)20-3)12(15)14-8(6-21)13(16)17/h4-5,8,21H,6H2,1-3H3,(H,14,15)(H,16,17)