3-[[1-(6-azanylhexyl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-(6-azanylhexyl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(6-aminohexyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(6-aminohexyl)-2-(4-carbamimidoylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(6-aminohexyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(6-aminohexyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCCCCCN)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCCCCCN)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C24H30N6O3/c25-12-3-1-2-4-14-30-20-10-9-18(24(33)28-13-11-21(31)32)15-19(20)29-23(30)17-7-5-16(6-8-17)22(26)27/h5-10,15H,1-4,11-14,25H2,(H3,26,27)(H,28,33)(H,31,32)