3-(6-azanylpyridin-3-yl)-2-[1-(3,3-dimethyl-2-oxidanylidene-butyl)imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(3,3-dimethyl-2-oxidanylidene-butyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(3,3-dimethyl-2-oxo-butyl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(3,3-dimethyl-2-oxobutyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-(3,3-dimethyl-2-oxobutyl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(2-keto-3,3-dimethyl-butyl)imidazol-4-yl]propionic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=C(N=C1)C(CC2=CN=C(C=C2)N)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)CN1C=C(N=C1)C(CC2=CN=C(C=C2)N)C(=O)O

InChI

InChI=1S/C17H22N4O3/c1-17(2,3)14(22)9-21-8-13(20-10-21)12(16(23)24)6-11-4-5-15(18)19-7-11/h4-5,7-8,10,12H,6,9H2,1-3H3,(H2,18,19)(H,23,24)