4-(4-methylsulfanylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-(4-methylsulfanylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-hydroxy-4-(4-methylsulfanylphenyl)butanoic acid CAS Name: 2-hydroxy-4-[4-(methylthio)phenyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 2-hydroxy-4-(4-methylsulfanylphenyl)-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-hydroxy-4-[4-(methylthio)phenyl]butyric acid Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S/c1-26-15-9-7-13(8-10-15)11-16(17(21)18(22)23)20-19(24)25-12-14-5-3-2-4-6-14/h2-10,16-17,21H,11-12H2,1H3,(H,20,24)(H,22,23)