2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid CAS Name: 2-(N-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetic acid Traditional Name: 2-(N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)O)C3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)O)C3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H25N5O3/c1-30-22-13-12-19(26(34)31(16-24(32)33)20-5-3-2-4-6-20)15-21(22)29-23(30)14-9-17-7-10-18(11-8-17)25(27)28/h2-8,10-13,15H,9,14,16H2,1H3,(H3,27,28)(H,32,33)