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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(carboxymethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(carboxymethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(carboxymethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(carboxymethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(carboxymethyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CC(=O)O)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CC(=O)O)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C20H19N5O5/c21-18(22)11-1-3-12(4-2-11)19-24-14-9-13(20(30)23-8-7-16(26)27)5-6-15(14)25(19)10-17(28)29/h1-6,9H,7-8,10H2,(H3,21,22)(H,23,30)(H,26,27)(H,28,29)