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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(methylamino)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(methylamino)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-6-(methylamino)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(methylamino)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-6-(methylamino)benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1C(=O)NCCC(=O)O)N=C(N2C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CNC1=CC2=C(C=C1C(=O)NCCC(=O)O)N=C(N2C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N6O3/c1-23-14-10-16-15(9-13(14)20(29)24-8-7-17(27)28)25-19(26(16)2)12-5-3-11(4-6-12)18(21)22/h3-6,9-10,23H,7-8H2,1-2H3,(H3,21,22)(H,24,29)(H,27,28)