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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(methylsulfonylamino)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-6-(methanesulfonamido)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-6-(methanesulfonamido)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-6-(methanesulfonamido)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-6-(methanesulfonamido)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H22N6O5S MolecularWeight: 458.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O5S/c1-26-16-10-14(25-32(2,30)31)13(20(29)23-8-7-17(27)28)9-15(16)24-19(26)12-5-3-11(4-6-12)18(21)22/h3-6,9-10,25H,7-8H2,1-2H3,(H3,21,22)(H,23,29)(H,27,28)