2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1H-imidazol-5-ylmethylthio)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(1H-imidazol-5-ylmethylthio)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CSCC3=CN=CN3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CSCC3=CN=CN3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C24H27N3O3S2/c1-16-5-3-4-6-19(16)21-11-17(13-32-14-18-12-25-15-26-18)7-8-20(21)23(28)27-22(24(29)30)9-10-31-2/h3-8,11-12,15,22H,9-10,13-14H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)