2-[[2-(2-methylphenyl)-4-(1-phenylpentoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(1-phenylpentoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(1-phenylpentoxymethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(1-phenylpentoxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(1-phenylpentoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(1-phenylpentoxymethyl)benzoyl]amino]butyric acid Formula: C31H37NO4S MolecularWeight: 519.69478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC(C1=CC=CC=C1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C31H37NO4S/c1-4-5-15-29(24-12-7-6-8-13-24)36-21-23-16-17-26(27(20-23)25-14-10-9-11-22(25)2)30(33)32-28(31(34)35)18-19-37-3/h6-14,16-17,20,28-29H,4-5,15,18-19,21H2,1-3H3,(H,32,33)(H,34,35)