2-[[[4-[(4-carbamimidoyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-phenyl-methyl]butanoate

Systemtic Name: 2-[[[4-[(4-carbamimidoyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-phenyl-methyl]butanoate Openeye Name: 2-[[[4-(4-carbamimidoyl-2-fluoro-anilino)-4-oxo-butanoyl]amino]-phenyl-methyl]butanoate CAS Name: 2-[[[4-(4-carbamimidoyl-2-fluoroanilino)-1,4-dioxobutyl]amino]-phenylmethyl]butanoate IUPAC Name: 2-[[[4-(4-carbamimidoyl-2-fluoroanilino)-4-oxobutanoyl]amino]-phenylmethyl]butanoate Traditional Name: 2-[[[4-(4-amidino-2-fluoro-anilino)-4-keto-butanoyl]amino]-phenyl-methyl]butyrate Formula: C22H24FN4O4- MolecularWeight: 427.448763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)NC(=O)CCC(=O)NC2=C(C=C(C=C2)C(=N)N)F)C(=O)[O-]

Isomeric SMILES

CCC(C(C1=CC=CC=C1)NC(=O)CCC(=O)NC2=C(C=C(C=C2)C(=N)N)F)C(=O)[O-]

InChI

InChI=1S/C22H25FN4O4/c1-2-15(22(30)31)20(13-6-4-3-5-7-13)27-19(29)11-10-18(28)26-17-9-8-14(21(24)25)12-16(17)23/h3-9,12,15,20H,2,10-11H2,1H3,(H3,24,25)(H,26,28)(H,27,29)(H,30,31)/p-1