methyl (2S)-4-methylsulfanyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butyric acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CC2=CC=CC=C2CN1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)[C@@H]1CC2=CC=CC=C2CN1

InChI

InChI=1S/C16H22N2O3S/c1-21-16(20)13(7-8-22-2)18-15(19)14-9-11-5-3-4-6-12(11)10-17-14/h3-6,13-14,17H,7-10H2,1-2H3,(H,18,19)/t13-,14-/m0/s1