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

Systemtic Name: 2-azanyl-3-(3-methylphenyl)-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-5-pyridin-3-yloxy-pentanoic acid Openeye Name: 2-amino-4-methylsulfanyl-3-(m-tolyl)-2-[2-(o-tolyl)benzoyl]-5-(3-pyridyloxy)pentanoic acid CAS Name: 2-amino-3-(3-methylphenyl)-2-[[2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)-5-(3-pyridinyloxy)pentanoic acid IUPAC Name: 2-amino-3-(3-methylphenyl)-2-[2-(2-methylphenyl)benzoyl]-4-methylsulfanyl-5-pyridin-3-yloxypentanoic acid Traditional Name: 2-amino-4-(methylthio)-3-(m-tolyl)-2-[2-(o-tolyl)benzoyl]-5-(3-pyridyloxy)valeric acid Formula: C32H32N2O4S MolecularWeight: 540.67248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(COC2=CN=CC=C2)SC)C(C(=O)C3=CC=CC=C3C4=CC=CC=C4C)(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(C(COC2=CN=CC=C2)SC)C(C(=O)C3=CC=CC=C3C4=CC=CC=C4C)(C(=O)O)N

InChI

InChI=1S/C32H32N2O4S/c1-21-10-8-12-23(18-21)29(28(39-3)20-38-24-13-9-17-34-19-24)32(33,31(36)37)30(35)27-16-7-6-15-26(27)25-14-5-4-11-22(25)2/h4-19,28-29H,20,33H2,1-3H3,(H,36,37)