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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(3,3-dimethylbutyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(3,3-dimethylbutyl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(3,3-dimethylbutyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-(3,3-dimethylbutyl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(3,3-dimethylbutyl)imidazol-4-yl]propionic acid Formula: C17H24N4O2 MolecularWeight: 316.39806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1C=C(N=C1)C(CC2=CN=C(C=C2)N)C(=O)O

Isomeric SMILES

CC(C)(C)CCN1C=C(N=C1)C(CC2=CN=C(C=C2)N)C(=O)O

InChI

InChI=1S/C17H24N4O2/c1-17(2,3)6-7-21-10-14(20-11-21)13(16(22)23)8-12-4-5-15(18)19-9-12/h4-5,9-11,13H,6-8H2,1-3H3,(H2,18,19)(H,22,23)