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

Systemtic Name: 2-azanyl-2-[2-(2-methylphenyl)-5-(2-methylpropyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[5-isobutyl-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[2-(2-methylphenyl)-5-(2-methylpropyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[2-(2-methylphenyl)-5-(2-methylpropyl)-4-(pyridin-3-yloxymethyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[5-isobutyl-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]-4-(methylthio)butyric acid Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=C(C=C2C(=O)C(CCSC)(C(=O)O)N)CC(C)C)COC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=C(C=C2C(=O)C(CCSC)(C(=O)O)N)CC(C)C)COC3=CN=CC=C3

InChI

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