3-[[4-[(4-carbamimidoyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-pyridazin-3-yl-propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-pyridazin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-carbamimidoyl-2-fluoro-anilino)-4-oxo-butanoyl]amino]-2-pyridazin-3-yl-propanoic acid CAS Name: 3-[[4-(4-carbamimidoyl-2-fluoroanilino)-1,4-dioxobutyl]amino]-2-(3-pyridazinyl)propanoic acid IUPAC Name: 3-[[4-(4-carbamimidoyl-2-fluoroanilino)-4-oxobutanoyl]amino]-2-pyridazin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-amidino-2-fluoro-anilino)-4-keto-butanoyl]amino]-2-pyridazin-3-yl-propionic acid Formula: C18H19FN6O4 MolecularWeight: 402.379663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NN=C1)C(CNC(=O)CCC(=O)NC2=C(C=C(C=C2)C(=N)N)F)C(=O)O

Isomeric SMILES

C1=CC(=NN=C1)C(CNC(=O)CCC(=O)NC2=C(C=C(C=C2)C(=N)N)F)C(=O)O

InChI

InChI=1S/C18H19FN6O4/c19-12-8-10(17(20)21)3-4-14(12)24-16(27)6-5-15(26)22-9-11(18(28)29)13-2-1-7-23-25-13/h1-4,7-8,11H,5-6,9H2,(H3,20,21)(H,22,26)(H,24,27)(H,28,29)