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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-carboxyethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-carboxyethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(2-carboxyethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-carboxyethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-carboxyethyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCC(=O)O)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCC(=O)O)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C21H21N5O5/c22-19(23)12-1-3-13(4-2-12)20-25-15-11-14(21(31)24-9-7-17(27)28)5-6-16(15)26(20)10-8-18(29)30/h1-6,11H,7-10H2,(H3,22,23)(H,24,31)(H,27,28)(H,29,30)