1-[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid

Systemtic Name: 1-[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid CAS Name: 1-[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid IUPAC Name: 1-[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1C=CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)N1C=CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H24N2O5S/c1-27-12-10-15(17(22)21-11-6-5-9-16(21)18(23)24)20-19(25)26-13-14-7-3-2-4-8-14/h2-4,6-8,11,15-16H,5,9-10,12-13H2,1H3,(H,20,25)(H,23,24)