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

Systemtic Name: 2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]butanedioic acid CAS Name: 2-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]butanedioic acid Traditional Name: 2-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]succinic acid Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5/c1-25-15-7-6-12(19(28)24-14(20(29)30)9-16(26)27)8-13(15)23-18(25)11-4-2-10(3-5-11)17(21)22/h2-8,14H,9H2,1H3,(H3,21,22)(H,24,28)(H,26,27)(H,29,30)