2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-methyl-valeric acid Formula: C23H30N4O3 MolecularWeight: 410.5093

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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)C#CC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C#CC(C)(C)C

InChI

InChI=1S/C23H30N4O3/c1-15(2)10-20(22(29)30)27-21(28)19-7-6-17(25-13-18-12-24-14-26-18)11-16(19)8-9-23(3,4)5/h6-7,11-12,14-15,20,25H,10,13H2,1-5H3,(H,24,26)(H,27,28)(H,29,30)