2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoic acid

Systemtic Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid CAS Name: 2-[[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]acetic acid IUPAC Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]acetic acid Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)O)C3=CC=CC=N3)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)O)C3=CC=CC=N3)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H24N6O3/c1-30-20-11-10-18(25(34)31(15-23(32)33)21-4-2-3-13-28-21)14-19(20)29-22(30)12-7-16-5-8-17(9-6-16)24(26)27/h2-6,8-11,13-14H,7,12,15H2,1H3,(H3,26,27)(H,32,33)