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

Systemtic Name: 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid Formula: C26H26N6O4 MolecularWeight: 486.52244

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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=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O4/c1-31-21-11-10-19(36-26(35)32(15-13-24(33)34)22-4-2-3-14-29-22)16-20(21)30-23(31)12-7-17-5-8-18(9-6-17)25(27)28/h2-6,8-11,14,16H,7,12-13,15H2,1H3,(H3,27,28)(H,33,34)