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

Systemtic Name: 2-azanyl-2-[3-(2-methoxyphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[3-(2-methoxyphenyl)-4-(3-pyridyloxymethyl)benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[3-(2-methoxyphenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[3-(2-methoxyphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[3-(2-methoxyphenyl)-4-(3-pyridyloxymethyl)benzoyl]-4-(methylthio)butyric acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)C(CCSC)(C(=O)O)N)COC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)C(CCSC)(C(=O)O)N)COC3=CN=CC=C3

InChI

InChI=1S/C25H26N2O5S/c1-31-22-8-4-3-7-20(22)21-14-17(23(28)25(26,24(29)30)11-13-33-2)9-10-18(21)16-32-19-6-5-12-27-15-19/h3-10,12,14-15H,11,13,16,26H2,1-2H3,(H,29,30)