(2S)-2-(3,4-dihydro-2H-quinolin-1-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-(3,4-dihydro-2H-quinolin-1-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-(methylthio)butyrate Formula: C15H19N2O3S- MolecularWeight: 307.38796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)N1CCCC2=CC=CC=C21

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)N1CCCC2=CC=CC=C21

InChI

InChI=1S/C15H20N2O3S/c1-21-10-8-12(14(18)19)16-15(20)17-9-4-6-11-5-2-3-7-13(11)17/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,16,20)(H,18,19)/p-1/t12-/m0/s1