5-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazo[4,5-b]pyridin-1-yl]pentanoic acid

Systemtic Name: 5-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazo[4,5-b]pyridin-1-yl]pentanoic acid Openeye Name: 5-[3-(4-carbamimidoylphenyl)-2-oxo-imidazo[4,5-b]pyridin-1-yl]pentanoic acid CAS Name: 5-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazo[4,5-b]pyridinyl]pentanoic acid IUPAC Name: 5-[3-(4-carbamimidoylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]pentanoic acid Traditional Name: 5-[3-(4-amidinophenyl)-2-keto-imidazo[4,5-b]pyridin-1-yl]valeric acid Formula: C18H19N5O3 MolecularWeight: 353.37516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C(=O)N2CCCCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC2=C(N=C1)N(C(=O)N2CCCCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H19N5O3/c19-16(20)12-6-8-13(9-7-12)23-17-14(4-3-10-21-17)22(18(23)26)11-2-1-5-15(24)25/h3-4,6-10H,1-2,5,11H2,(H3,19,20)(H,24,25)