4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbamoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbamoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridyloxymethyl)phenyl]carbamoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)anilino]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbamoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(3-pyridyloxymethyl)phenyl]carbamoylamino]butyric acid Formula: C24H25N3O4S MolecularWeight: 451.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-32-13-11-22(23(28)29)27-24(30)26-21-10-9-17(16-31-19-8-5-12-25-15-19)14-20(21)18-6-3-2-4-7-18/h2-10,12,14-15,22H,11,13,16H2,1H3,(H,28,29)(H2,26,27,30)