2-[1-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCN3CCC(C3=O)CC(=O)O

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCN3CCC(C3=O)CC(=O)O

InChI

InChI=1S/C20H22N6O5/c1-25-20(31)14(9-15(24-25)11-2-4-12(5-3-11)17(21)22)18(29)23-10-26-7-6-13(19(26)30)8-16(27)28/h2-5,9,13H,6-8,10H2,1H3,(H3,21,22)(H,23,29)(H,27,28)