3-(6-azanylpyridin-3-yl)-2-[1-(pyridin-3-ylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(pyridin-3-ylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(3-pyridylmethyl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(3-pyridinylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-(pyridin-3-ylmethyl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(3-pyridylmethyl)imidazol-4-yl]propionic acid Formula: C17H17N5O2 MolecularWeight: 323.34918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C17H17N5O2/c18-16-4-3-12(8-20-16)6-14(17(23)24)15-10-22(11-21-15)9-13-2-1-5-19-7-13/h1-5,7-8,10-11,14H,6,9H2,(H2,18,20)(H,23,24)