3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutyl]carbonylamino]-2-pyridazin-3-yl-propanoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutyl]carbonylamino]-2-pyridazin-3-yl-propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutanecarbonyl]amino]-2-pyridazin-3-yl-propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylanilino)-oxomethyl]cyclobutyl]-oxomethyl]amino]-2-(3-pyridazinyl)propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutanecarbonyl]amino]-2-pyridazin-3-ylpropanoic acid Traditional Name: 3-[[2-[(4-amidinophenyl)carbamoyl]cyclobutanecarbonyl]amino]-2-pyridazin-3-yl-propionic acid Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C(=O)NCC(C2=NN=CC=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(C1C(=O)NCC(C2=NN=CC=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N6O4/c21-17(22)11-3-5-12(6-4-11)25-19(28)14-8-7-13(14)18(27)23-10-15(20(29)30)16-2-1-9-24-26-16/h1-6,9,13-15H,7-8,10H2,(H3,21,22)(H,23,27)(H,25,28)(H,29,30)