2-[[2-(2-methylphenyl)-4-(3-phenylpropoxy)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(3-phenylpropoxy)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(3-phenylpropoxy)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(3-phenylpropoxy)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(3-phenylpropoxy)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(3-phenylpropoxy)benzoyl]amino]butyric acid Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)OCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)OCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H31NO4S/c1-20-9-6-7-13-23(20)25-19-22(33-17-8-12-21-10-4-3-5-11-21)14-15-24(25)27(30)29-26(28(31)32)16-18-34-2/h3-7,9-11,13-15,19,26H,8,12,16-18H2,1-2H3,(H,29,30)(H,31,32)