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

Systemtic Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]propanoic acid CAS Name: 2-[[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]propanoic acid Traditional Name: 2-[[2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]propionic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-13(19(26)27)24-18(25)17-6-5-15(22-11-16-10-21-12-23-16)9-14(17)7-8-20(2,3)4/h5-6,9-10,12-13,22H,11H2,1-4H3,(H,21,23)(H,24,25)(H,26,27)