(2R)-2-[(3,4-dimethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[(3,4-dimethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(veratroylamino)butyrate Formula: C14H18NO5S- MolecularWeight: 312.36142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H](CCSC)C(=O)[O-])OC

InChI

InChI=1S/C14H19NO5S/c1-19-11-5-4-9(8-12(11)20-2)13(16)15-10(14(17)18)6-7-21-3/h4-5,8,10H,6-7H2,1-3H3,(H,15,16)(H,17,18)/p-1/t10-/m1/s1