3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-propan-2-yl-imidazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-propan-2-yl-imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-isopropyl-imidazol-4-yl]propanoic acid CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-propan-2-yl-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-propan-2-ylimidazol-4-yl]propanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-2-isopropyl-imidazol-4-yl]propionic acid Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CC(C)C1=NC(=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C20H22N6O2/c1-12(2)20-23-15(7-10-18(27)28)11-26(20)17-9-8-16(24-25-17)13-3-5-14(6-4-13)19(21)22/h3-6,8-9,11-12H,7,10H2,1-2H3,(H3,21,22)(H,27,28)