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

Systemtic Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyphenyl)phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyphenyl)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyphenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyphenyl)benzoyl]amino]-4-methyl-valeric acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3OC

InChI

InChI=1S/C24H28N4O4/c1-15(2)10-21(24(30)31)28-23(29)19-9-8-16(26-13-17-12-25-14-27-17)11-20(19)18-6-4-5-7-22(18)32-3/h4-9,11-12,14-15,21,26H,10,13H2,1-3H3,(H,25,27)(H,28,29)(H,30,31)