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

Systemtic Name: 2-azanyl-2-[2-(4-methoxyphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[2-(4-methoxyphenyl)-4-(3-pyridyloxymethyl)benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[2-(4-methoxyphenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[2-(4-methoxyphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[2-(4-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=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

InChI

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