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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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