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

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

CCCCC1=C(C=C(C(=C1)C(=O)C(CCSC)(C(=O)O)N)C2=CC=CC=C2C)COC3=CN=CC=C3

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C(=O)C(CCSC)(C(=O)O)N)C2=CC=CC=C2C)COC3=CN=CC=C3

InChI

InChI=1S/C29H34N2O4S/c1-4-5-10-21-16-26(27(32)29(30,28(33)34)13-15-36-3)25(24-12-7-6-9-20(24)2)17-22(21)19-35-23-11-8-14-31-18-23/h6-9,11-12,14,16-18H,4-5,10,13,15,19,30H2,1-3H3,(H,33,34)