3-[[2-(4-carbamimidoylphenyl)-6-[carboxymethyl(methyl)amino]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-6-[carboxymethyl(methyl)amino]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-6-[carboxymethyl(methyl)amino]-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-6-[carboxymethyl(methyl)amino]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-6-[carboxymethyl(methyl)amino]-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-6-[carboxymethyl(methyl)amino]-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C(=C2)N(C)CC(=O)O)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C(=C2)N(C)CC(=O)O)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H24N6O5/c1-27(11-19(31)32)16-10-17-15(9-14(16)22(33)25-8-7-18(29)30)26-21(28(17)2)13-5-3-12(4-6-13)20(23)24/h3-6,9-10H,7-8,11H2,1-2H3,(H3,23,24)(H,25,33)(H,29,30)(H,31,32)