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

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(oxan-2-ylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(tetrahydropyran-2-ylmethyl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(2-oxanylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-(oxan-2-ylmethyl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(tetrahydropyran-2-ylmethyl)imidazol-4-yl]propionic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

C1CCOC(C1)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C17H22N4O3/c18-16-5-4-12(8-19-16)7-14(17(22)23)15-10-21(11-20-15)9-13-3-1-2-6-24-13/h4-5,8,10-11,13-14H,1-3,6-7,9H2,(H2,18,19)(H,22,23)