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

Systemtic Name: 3-[[4-[(4-carbamimidoyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-(4-carbamimidoyl-2-fluoro-anilino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[4-(4-carbamimidoyl-2-fluoroanilino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-(4-carbamimidoyl-2-fluoroanilino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-(4-amidino-2-fluoro-anilino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C20H21FN4O4 MolecularWeight: 400.403543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O4/c21-14-10-13(20(22)23)6-7-15(14)24-17(26)8-9-18(27)25-16(11-19(28)29)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H3,22,23)(H,24,26)(H,25,27)(H,28,29)