dimethyl 2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C(CCSC)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C15H20N2O5S/c1-21-14(19)9-4-5-10(15(20)22-2)12(8-9)17-13(18)11(16)6-7-23-3/h4-5,8,11H,6-7,16H2,1-3H3,(H,17,18)/t11-/m0/s1