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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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