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

Systemtic Name: 3-[[2-(4-carbamimidoyl-2-methoxy-phenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoyl-2-methoxy-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoyl-2-methoxyphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoyl-2-methoxyphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidino-2-methoxy-phenyl)-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)C(=O)NCCC(=O)O)N=C1C3=C(C=C(C=C3)C(=N)N)OC

Isomeric SMILES

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

InChI

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