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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-5-6-7-20(22(29)30)27-21(28)19-9-8-17(25-14-18-13-24-15-26-18)12-16(19)10-11-23(2,3)4/h8-9,12-13,15,20,25H,5-7,14H2,1-4H3,(H,24,26)(H,27,28)(H,29,30)