3-[[2-(4-carbamimidoylphenyl)-7-fluoranyl-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-7-fluoranyl-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-7-fluoro-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-7-fluoro-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-7-fluoro-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-7-fluoro-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C19H18FN5O3 MolecularWeight: 383.376323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2F)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2F)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H18FN5O3/c1-25-16-13(20)8-12(19(28)23-7-6-15(26)27)9-14(16)24-18(25)11-4-2-10(3-5-11)17(21)22/h2-5,8-9H,6-7H2,1H3,(H3,21,22)(H,23,28)(H,26,27)