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

Systemtic Name: 2-azanyl-4-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-butanoic acid Openeye Name: 2-amino-4-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylbenzoyl)butanoic acid CAS Name: 2-amino-4-(1H-imidazol-5-ylmethylamino)-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]butanoic acid IUPAC Name: 2-amino-4-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylbenzoyl)butanoic acid Traditional Name: 2-amino-4-(1H-imidazol-5-ylmethylamino)-4-(methylthio)-2-(2-phenylbenzoyl)butyric acid Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)NCC3=CN=CN3

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NCC3=CN=CN3

InChI

InChI=1S/C22H24N4O3S/c1-30-19(25-13-16-12-24-14-26-16)11-22(23,21(28)29)20(27)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,12,14,19,25H,11,13,23H2,1H3,(H,24,26)(H,28,29)