2-[[2-(2-methylphenyl)-5-phenethyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-5-phenethyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-5-phenethyl-4-(3-pyridyloxymethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-5-phenethyl-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-5-phenethyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-5-phenethyl-4-(3-pyridyloxymethyl)benzoyl]amino]butyric acid Formula: C33H34N2O4S MolecularWeight: 554.69906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=C(C=C2C(=O)NC(CCSC)C(=O)O)CCC3=CC=CC=C3)COC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=C(C=C2C(=O)NC(CCSC)C(=O)O)CCC3=CC=CC=C3)COC4=CN=CC=C4

InChI

InChI=1S/C33H34N2O4S/c1-23-9-6-7-13-28(23)29-20-26(22-39-27-12-8-17-34-21-27)25(15-14-24-10-4-3-5-11-24)19-30(29)32(36)35-31(33(37)38)16-18-40-2/h3-13,17,19-21,31H,14-16,18,22H2,1-2H3,(H,35,36)(H,37,38)