3-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-4-methyl-1H-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-4-methyl-1H-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoyl-2-methoxy-anilino)methyl]-4-methyl-1H-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-4-methyl-1H-benzimidazol-5-yl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-4-methyl-1H-benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[(4-amidino-2-methoxy-anilino)methyl]-4-methyl-1H-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid Formula: C26H27N7O4 MolecularWeight: 501.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(N2)CNC3=C(C=C(C=C3)C(=N)N)OC)C(=O)N(CCC(=O)O)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC2=C1N=C(N2)CNC3=C(C=C(C=C3)C(=N)N)OC)C(=O)N(CCC(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C26H27N7O4/c1-15-17(26(36)33(12-10-23(34)35)22-5-3-4-11-29-22)7-9-19-24(15)32-21(31-19)14-30-18-8-6-16(25(27)28)13-20(18)37-2/h3-9,11,13,30H,10,12,14H2,1-2H3,(H3,27,28)(H,31,32)(H,34,35)