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

Systemtic Name: 3-[[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[[(5-carbamimidoyl-2-pyridyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[[(5-amidino-2-pyridyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid Formula: C24H24N8O4 MolecularWeight: 488.49856

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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=NC=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=C1CNC4=NC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H24N8O4/c1-31-18-7-6-16(36-24(35)32(11-9-22(33)34)20-4-2-3-10-27-20)12-17(18)30-21(31)14-29-19-8-5-15(13-28-19)23(25)26/h2-8,10,12-13H,9,11,14H2,1H3,(H3,25,26)(H,28,29)(H,33,34)