3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-oxidanylidene-pyridin-1-yl]propanoic acid

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-oxidanylidene-pyridin-1-yl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-oxo-1-pyridyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-oxo-1-pyridinyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-oxopyridin-1-yl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-keto-1-pyridyl]propionic acid Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N2)C3=CC(=O)N(C=C3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N2)C3=CC(=O)N(C=C3)CCC(=O)O)C(=N)N

InChI

InChI=1S/C18H17N5O3/c19-17(20)12-3-1-11(2-4-12)14-10-21-18(22-14)13-5-7-23(15(24)9-13)8-6-16(25)26/h1-5,7,9-10H,6,8H2,(H3,19,20)(H,21,22)(H,25,26)