3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl-pyridin-2-yl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]methyl-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]methyl-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl-(2-pyridyl)amino]propionic acid Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CN(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)CN(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H27N7O2/c1-31-21-10-5-17(16-32(13-11-24(33)34)22-4-2-3-12-28-22)14-20(21)30-23(31)15-29-19-8-6-18(7-9-19)25(26)27/h2-10,12,14,29H,11,13,15-16H2,1H3,(H3,26,27)(H,33,34)