3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonyl-methyl-amino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonyl-methyl-amino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]-methyl-amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-methylamino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]-methylamino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]-methyl-amino]propionic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-24(10-9-17(26)27)20(28)14-7-8-16-15(11-14)23-19(25(16)2)13-5-3-12(4-6-13)18(21)22/h3-8,11H,9-10H2,1-2H3,(H3,21,22)(H,26,27)