3-(6-azanylpyridin-3-yl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(4-piperidyl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(4-piperidinyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(4-piperidyl)imidazol-4-yl]propionic acid Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

C1CNCCC1N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C16H21N5O2/c17-15-2-1-11(8-19-15)7-13(16(22)23)14-9-21(10-20-14)12-3-5-18-6-4-12/h1-2,8-10,12-13,18H,3-7H2,(H2,17,19)(H,22,23)