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

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-imidazol-3-yl]propanoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]propanoic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]propanoic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-3-yl]propanoic acid Traditional Name: 2-[5-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]propionic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=CNC1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C(=O)O)N1C(=CNC1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C13H14N4O3/c1-7(12(18)19)17-10(6-16-13(17)20)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H3,14,15)(H,16,20)(H,18,19)