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

Systemtic Name: 2-azanyl-2-[2-(3-methylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-(m-tolyl)-4-(3-pyridyloxymethyl)benzoyl]butanoic acid CAS Name: 2-amino-2-[[2-(3-methylphenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[2-(3-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-(m-tolyl)-4-(3-pyridyloxymethyl)benzoyl]butyric acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)C(CCSC)(C(=O)O)N

InChI

InChI=1S/C25H26N2O4S/c1-17-5-3-6-19(13-17)22-14-18(16-31-20-7-4-11-27-15-20)8-9-21(22)23(28)25(26,24(29)30)10-12-32-2/h3-9,11,13-15H,10,12,16,26H2,1-2H3,(H,29,30)