2-[[2-(2-methylphenyl)-4-[(E)-5-phenylpent-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(E)-5-phenylpent-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-5-phenylpent-1-enyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-5-phenylpent-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(E)-5-phenylpent-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-5-phenylpent-1-enyl]benzoyl]amino]butyric acid Formula: C30H33NO3S MolecularWeight: 487.65292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CCCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/CCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H33NO3S/c1-22-11-9-10-16-25(22)27-21-24(15-8-4-7-14-23-12-5-3-6-13-23)17-18-26(27)29(32)31-28(30(33)34)19-20-35-2/h3,5-6,8-13,15-18,21,28H,4,7,14,19-20H2,1-2H3,(H,31,32)(H,33,34)/b15-8+