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

Systemtic Name: 3-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoyl-2-methoxy-anilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[(4-amidino-2-methoxy-anilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid Formula: C26H27N7O5 MolecularWeight: 517.53648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N7O5/c1-32-20-9-7-17(38-26(36)33(12-10-24(34)35)22-5-3-4-11-29-22)14-19(20)31-23(32)15-30-18-8-6-16(25(27)28)13-21(18)37-2/h3-9,11,13-14,30H,10,12,15H2,1-2H3,(H3,27,28)(H,34,35)