2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(o-tolyl)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(o-tolyl)benzoyl]amino]-4-methyl-valeric acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CN3)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CN3)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C24H28N4O3/c1-15(2)10-22(24(30)31)28-23(29)20-9-8-17(26-13-18-12-25-14-27-18)11-21(20)19-7-5-4-6-16(19)3/h4-9,11-12,14-15,22,26H,10,13H2,1-3H3,(H,25,27)(H,28,29)(H,30,31)