4-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]butanoic acid Openeye Name: 4-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]butanoic acid CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]butanoic acid Traditional Name: 4-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]butyric acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-25-16-9-8-14(20(28)23-10-2-3-17(26)27)11-15(16)24-19(25)13-6-4-12(5-7-13)18(21)22/h4-9,11H,2-3,10H2,1H3,(H3,21,22)(H,23,28)(H,26,27)