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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-[3-(carboxymethylamino)-3-oxidanylidene-propyl]benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-[3-(carboxymethylamino)-3-oxo-propyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[3-(carboxymethylamino)-3-oxopropyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-[3-(carboxymethylamino)-3-oxopropyl]benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-[3-(carboxymethylamino)-3-keto-propyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C23H24N6O6 MolecularWeight: 480.47326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCC(=O)NCC(=O)O)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCC(=O)NCC(=O)O)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C23H24N6O6/c24-21(25)13-1-3-14(4-2-13)22-28-16-11-15(23(35)26-9-7-19(31)32)5-6-17(16)29(22)10-8-18(30)27-12-20(33)34/h1-6,11H,7-10,12H2,(H3,24,25)(H,26,35)(H,27,30)(H,31,32)(H,33,34)