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

Systemtic Name: 2-[[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]methyl]-4-phenyl-butanoic acid Openeye Name: 2-[[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]methyl]-4-phenyl-butanoic acid CAS Name: 2-[[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]methyl]-4-phenylbutanoic acid IUPAC Name: 2-[[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]methyl]-4-phenylbutanoic acid Traditional Name: 2-[[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]methyl]-4-phenyl-butyric acid Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCC(CCC3=CC=CC=C3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCC(CCC3=CC=CC=C3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O3/c1-32-23-14-13-20(15-22(23)31-25(32)19-11-9-18(10-12-19)24(28)29)26(33)30-16-21(27(34)35)8-7-17-5-3-2-4-6-17/h2-6,9-15,21H,7-8,16H2,1H3,(H3,28,29)(H,30,33)(H,34,35)