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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[3-phenoxy-4-(pyridin-3-yloxymethyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[3-phenoxy-4-(3-pyridyloxymethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[3-phenoxy-4-(3-pyridinyloxymethyl)phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[3-phenoxy-4-(pyridin-3-yloxymethyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[3-phenoxy-4-(3-pyridyloxymethyl)benzoyl]butyric acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=CC(=C(C=C1)COC2=CN=CC=C2)OC3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=CC(=C(C=C1)COC2=CN=CC=C2)OC3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C24H24N2O5S/c1-32-13-11-24(25,23(28)29)22(27)17-9-10-18(16-30-20-8-5-12-26-15-20)21(14-17)31-19-6-3-2-4-7-19/h2-10,12,14-15H,11,13,16,25H2,1H3,(H,28,29)