methyl (2R)-2-[2-[(3,4-dimethylphenyl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-[(3,4-dimethylphenyl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC(CCSC)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N[C@H](CCSC)C(=O)OC)C

InChI

InChI=1S/C17H24N2O4S/c1-11-5-6-13(9-12(11)2)16(21)18-10-15(20)19-14(7-8-24-4)17(22)23-3/h5-6,9,14H,7-8,10H2,1-4H3,(H,18,21)(H,19,20)/t14-/m1/s1