8-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)amino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-[[1-(acetylsulfanylmethyl)-2-phenyl-ethyl]amino]-8-oxo-octanoic acid CAS Name: 8-[[1-(acetylthio)-3-phenylpropan-2-yl]amino]-8-oxooctanoic acid IUPAC Name: 8-[(1-acetylsulfanyl-3-phenylpropan-2-yl)amino]-8-oxooctanoic acid Traditional Name: 8-[[1-[(acetylthio)methyl]-2-phenyl-ethyl]amino]-8-keto-caprylic acid Formula: C19H27NO4S MolecularWeight: 365.48698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)CCCCCCC(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C19H27NO4S/c1-15(21)25-14-17(13-16-9-5-4-6-10-16)20-18(22)11-7-2-3-8-12-19(23)24/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,20,22)(H,23,24)