3-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-6-yl]carbonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-6-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridine-6-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-3-methyl-6-imidazo[4,5-b]pyridinyl]-oxomethyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridine-6-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridine-6-carbonyl]amino]propionic acid dihydrobromide Formula: C18H20Br2N6O3 MolecularWeight: 528.1978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=N2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N.Br.Br

Isomeric SMILES

CN1C2=C(C=C(C=N2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N.Br.Br

InChI

InChI=1S/C18H18N6O3.2BrH/c1-24-16(11-4-2-10(3-5-11)15(19)20)23-13-8-12(9-22-17(13)24)18(27)21-7-6-14(25)26;;/h2-5,8-9H,6-7H2,1H3,(H3,19,20)(H,21,27)(H,25,26);2*1H