2-azanyl-2-[2-(3-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-5-pyridin-3-yloxy-pentanoic acid

Systemtic Name: 2-azanyl-2-[2-(3-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-5-pyridin-3-yloxy-pentanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-(m-tolyl)benzoyl]-5-(3-pyridyloxy)pentanoic acid CAS Name: 2-amino-2-[[2-(3-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)-5-(3-pyridinyloxy)pentanoic acid IUPAC Name: 2-amino-2-[2-(3-methylphenyl)benzoyl]-4-methylsulfanyl-5-pyridin-3-yloxypentanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-(m-tolyl)benzoyl]-5-(3-pyridyloxy)valeric acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)C(CC(COC3=CN=CC=C3)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=CC=C2C(=O)C(CC(COC3=CN=CC=C3)SC)(C(=O)O)N

InChI

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