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

Systemtic Name: 3-[[1-(3-azanylpropyl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(3-aminopropyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(3-aminopropyl)-2-(4-carbamimidoylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-aminopropyl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-aminopropyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCCN)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCCN)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C21H24N6O3/c22-9-1-11-27-17-7-6-15(21(30)25-10-8-18(28)29)12-16(17)26-20(27)14-4-2-13(3-5-14)19(23)24/h2-7,12H,1,8-11,22H2,(H3,23,24)(H,25,30)(H,28,29)