4-[2-(4-carbamimidoylphenyl)-5-(2-carboxyethylcarbamoyl)benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[2-(4-carbamimidoylphenyl)-5-(2-carboxyethylcarbamoyl)benzimidazol-1-yl]butanoic acid Openeye Name: 4-[2-(4-carbamimidoylphenyl)-5-(2-carboxyethylcarbamoyl)benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-(4-carbamimidoylphenyl)-5-[(2-carboxyethylamino)-oxomethyl]-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[2-(4-carbamimidoylphenyl)-5-(2-carboxyethylcarbamoyl)benzimidazol-1-yl]butanoic acid Traditional Name: 4-[2-(4-amidinophenyl)-5-(2-carboxyethylcarbamoyl)benzimidazol-1-yl]butyric acid Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCCC(=O)O)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCCC(=O)O)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C22H23N5O5/c23-20(24)13-3-5-14(6-4-13)21-26-16-12-15(22(32)25-10-9-19(30)31)7-8-17(16)27(21)11-1-2-18(28)29/h3-8,12H,1-2,9-11H2,(H3,23,24)(H,25,32)(H,28,29)(H,30,31)