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

Systemtic Name: 2-[[4-(1H-imidazol-5-ylcarbonylamino)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(1H-imidazole-5-carbonylamino)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[1H-imidazol-5-yl(oxo)methyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1H-imidazole-5-carbonylamino)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(1H-imidazole-5-carbonylamino)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4S/c1-31-10-9-18(22(29)30)26-20(27)16-8-7-15(25-21(28)19-12-23-13-24-19)11-17(16)14-5-3-2-4-6-14/h2-8,11-13,18H,9-10H2,1H3,(H,23,24)(H,25,28)(H,26,27)(H,29,30)