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

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoyl-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[(4-amidino-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CN(C)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CN(C)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H27N7O3/c1-31(19-9-6-17(7-10-19)25(27)28)16-23-30-20-15-18(8-11-21(20)32(23)2)26(36)33(14-12-24(34)35)22-5-3-4-13-29-22/h3-11,13,15H,12,14,16H2,1-2H3,(H3,27,28)(H,34,35)