methyl 2-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxidanidyl-1H-pyridazin-2-ium-4-yl]carbonylamino]ethanoyl-ethanoyl-amino]ethanoate

Systemtic Name: methyl 2-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxidanidyl-1H-pyridazin-2-ium-4-yl]carbonylamino]ethanoyl-ethanoyl-amino]ethanoate Openeye Name: methyl 2-[acetyl-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxido-1H-pyridazin-2-ium-4-carbonyl]amino]acetyl]amino]acetate CAS Name: 2-[acetyl-[2-[[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxido-1H-pyridazin-2-ium-4-yl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[acetyl-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-2-oxido-1H-pyridazin-2-ium-4-carbonyl]amino]acetyl]amino]acetate Traditional Name: 2-[acetyl-[2-[[6-(4-amidinophenyl)-2-methyl-2-oxido-1H-pyridazin-2-ium-4-carbonyl]amino]acetyl]amino]acetic acid methyl ester Formula: C20H24N6O6 MolecularWeight: 444.44116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)OC)C(=O)CNC(=O)C1=C[N+](NC(=C1)C2=CC=C(C=C2)C(=N)N)(C)[O-]

Isomeric SMILES

CC(=O)N(CC(=O)OC)C(=O)CNC(=O)C1=C[N+](NC(=C1)C2=CC=C(C=C2)C(=N)N)(C)[O-]

InChI

InChI=1S/C20H24N6O6/c1-12(27)25(10-18(29)32-3)17(28)9-23-20(30)15-8-16(24-26(2,31)11-15)13-4-6-14(7-5-13)19(21)22/h4-8,11,24H,9-10H2,1-3H3,(H3,21,22)(H,23,30)