5-[[3-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-pyridazin-5-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-[[3-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-pyridazin-5-yl]carbonylamino]pentanoic acid Openeye Name: 5-[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazine-5-carbonyl]amino]pentanoic acid CAS Name: 5-[[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazin-5-yl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazine-5-carbonyl]amino]pentanoic acid Traditional Name: 5-[[3-(4-amidinophenyl)-6-keto-1H-pyridazine-5-carbonyl]amino]valeric acid Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=O)C(=C2)C(=O)NCCCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=O)C(=C2)C(=O)NCCCCC(=O)O)C(=N)N

InChI

InChI=1S/C17H19N5O4/c18-15(19)11-6-4-10(5-7-11)13-9-12(17(26)22-21-13)16(25)20-8-2-1-3-14(23)24/h4-7,9H,1-3,8H2,(H3,18,19)(H,20,25)(H,22,26)(H,23,24)