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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-c]pyridin-6-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-c]pyridine-6-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-3-methyl-6-imidazo[4,5-c]pyridinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-c]pyridine-6-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-c]pyridine-6-carbonyl]amino]propionic acid Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C(C=C2N=C1C3=CC=C(C=C3)C(=N)N)C(=O)NCCC(=O)O

Isomeric SMILES

CN1C2=CN=C(C=C2N=C1C3=CC=C(C=C3)C(=N)N)C(=O)NCCC(=O)O

InChI

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