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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-6-(dimethylamino)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-6-(dimethylamino)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3/c1-26(2)16-11-17-15(10-14(16)21(30)24-9-8-18(28)29)25-20(27(17)3)13-6-4-12(5-7-13)19(22)23/h4-7,10-11H,8-9H2,1-3H3,(H3,22,23)(H,24,30)(H,28,29)