2-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]acetyl]amino]acetic acid Formula: C17H18N6O5 MolecularWeight: 386.36202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C17H18N6O5/c1-23-17(28)11(16(27)21-7-13(24)20-8-14(25)26)6-12(22-23)9-2-4-10(5-3-9)15(18)19/h2-6H,7-8H2,1H3,(H3,18,19)(H,20,24)(H,21,27)(H,25,26)