3-(6-azanylpyridin-3-yl)-2-[1-(2-oxidanylidene-2-piperidin-2-yl-ethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(2-oxidanylidene-2-piperidin-2-yl-ethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-[2-oxo-2-(2-piperidyl)ethyl]imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-[2-oxo-2-(2-piperidinyl)ethyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-(2-oxo-2-piperidin-2-ylethyl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-[2-keto-2-(2-piperidyl)ethyl]imidazol-4-yl]propionic acid Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

Isomeric SMILES

C1CCNC(C1)C(=O)CN2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O

InChI

InChI=1S/C18H23N5O3/c19-17-5-4-12(8-21-17)7-13(18(25)26)15-9-23(11-22-15)10-16(24)14-3-1-2-6-20-14/h4-5,8-9,11,13-14,20H,1-3,6-7,10H2,(H2,19,21)(H,25,26)