2-azanyl-4-(1H-imidazol-5-ylcarbonylamino)-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NC(=O)C3=CN=CN3

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NC(=O)C3=CN=CN3

InChI

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