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

Systemtic Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3

InChI

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