2-[[2-(2-methylphenyl)-4-[(E)-3-phenylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(E)-3-phenylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-3-phenylprop-1-enyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-3-phenylprop-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(E)-3-phenylprop-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-3-phenylprop-1-enyl]benzoyl]amino]butyric acid Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/CC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H29NO3S/c1-20-9-6-7-14-23(20)25-19-22(13-8-12-21-10-4-3-5-11-21)15-16-24(25)27(30)29-26(28(31)32)17-18-33-2/h3-11,13-16,19,26H,12,17-18H2,1-2H3,(H,29,30)(H,31,32)/b13-8+