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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-6-methoxy-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-6-methoxy-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-6-methoxy-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-6-methoxy-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-6-methoxy-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-25-15-10-16(29-2)13(20(28)23-8-7-17(26)27)9-14(15)24-19(25)12-5-3-11(4-6-12)18(21)22/h3-6,9-10H,7-8H2,1-2H3,(H3,21,22)(H,23,28)(H,26,27)