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

Systemtic Name: 2-azanyl-2-(2-methylphenyl)-3-[3-(2-methylpropyl)phenyl]carbonyl-4-methylsulfanyl-5-pyridin-3-yloxy-pentanoic acid Openeye Name: 2-amino-3-(3-isobutylbenzoyl)-4-methylsulfanyl-2-(o-tolyl)-5-(3-pyridyloxy)pentanoic acid CAS Name: 2-amino-2-(2-methylphenyl)-3-[[3-(2-methylpropyl)phenyl]-oxomethyl]-4-(methylthio)-5-(3-pyridinyloxy)pentanoic acid IUPAC Name: 2-amino-2-(2-methylphenyl)-3-[3-(2-methylpropyl)benzoyl]-4-methylsulfanyl-5-pyridin-3-yloxypentanoic acid Traditional Name: 2-amino-3-(3-isobutylbenzoyl)-4-(methylthio)-2-(o-tolyl)-5-(3-pyridyloxy)valeric acid Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(C(COC2=CN=CC=C2)SC)C(=O)C3=CC(=CC=C3)CC(C)C)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C(C(C(COC2=CN=CC=C2)SC)C(=O)C3=CC(=CC=C3)CC(C)C)(C(=O)O)N

InChI

InChI=1S/C29H34N2O4S/c1-19(2)15-21-10-7-11-22(16-21)27(32)26(25(36-4)18-35-23-12-8-14-31-17-23)29(30,28(33)34)24-13-6-5-9-20(24)3/h5-14,16-17,19,25-26H,15,18,30H2,1-4H3,(H,33,34)