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

Systemtic Name: 2-(butylsulfonylamino)-3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]-2-(butylsulfonylamino)propionic acid Formula: C21H25N7O4S MolecularWeight: 471.5327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C21H25N7O4S/c1-2-3-10-33(31,32)27-18(21(29)30)11-16-12-28(13-24-16)19-9-8-17(25-26-19)14-4-6-15(7-5-14)20(22)23/h4-9,12-13,18,27H,2-3,10-11H2,1H3,(H3,22,23)(H,29,30)