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

Systemtic Name: 4-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoic acid Openeye Name: 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butanoic acid CAS Name: 4-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)butanoic acid IUPAC Name: 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)butanoic acid Traditional Name: 4-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butyric acid Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCCC(=O)O)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCCC(=O)O)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H28N6O3/c1-32-23-14-11-19(27(36)33(15-5-8-25(34)35)21-6-3-2-4-7-21)16-22(23)31-24(32)17-30-20-12-9-18(10-13-20)26(28)29/h2-4,6-7,9-14,16,30H,5,8,15,17H2,1H3,(H3,28,29)(H,34,35)