2-[(3,5-dimethoxy-4-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3,5-dimethoxy-4-oxidanyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-hydroxy-3,5-dimethoxy-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-hydroxy-3,5-dimethoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-hydroxy-3,5-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(syringoylamino)butyric acid Formula: C14H19NO6S MolecularWeight: 329.36876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C14H19NO6S/c1-20-10-6-8(7-11(21-2)12(10)16)13(17)15-9(14(18)19)4-5-22-3/h6-7,9,16H,4-5H2,1-3H3,(H,15,17)(H,18,19)