2-[5-[[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]amino]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[[6-(4-amidinophenyl)pyridazin-3-yl]amino]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1CNC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1C(C(=O)NC1CNC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C18H20N6O3/c19-17(20)11-3-1-10(2-4-11)14-5-6-15(24-23-14)21-9-13-7-12(8-16(25)26)18(27)22-13/h1-6,12-13H,7-9H2,(H3,19,20)(H,21,24)(H,22,27)(H,25,26)