Ethyl N-{[2-({[4-(N-{[(2,2,3,3,4,4,5,5,6,6,6-²H₁₁)hexyloxy]carbonyl}carbamimidoyl)phenyl]amino}methyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alaninate

More details:

• Systematic name

  Ethyl N-{[2-({[4-(N-{[(2,2,3,3,4,4,5,5,6,6,6-~2~H_11_)hexyloxy]carbonyl}carbamimidoyl)phenyl]amino}methyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-beta-alaninate

• SMILES

  C([2H])([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])COC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N2C)N [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])COC(=O)NC(=N)c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c4ccccn4

• Std. InChi

  InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)/i1D3,4D2,6D2,7D2,10D2

• Std. InChIKey

  KSGXQBZTULBEEQ-XMNFAPRZSA-N

• Cite this record

  CSID:58778988, http://www.chemspider.com/Chemical-Structure.58778988.html (accessed 02:37, Apr 26, 2024)