(2S)-2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3,4-dimethoxyanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-(methylthio)butyrate Formula: C14H19N2O5S- MolecularWeight: 327.37606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S/c1-20-11-5-4-9(8-12(11)21-2)15-14(19)16-10(13(17)18)6-7-22-3/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t10-/m0/s1