Telaprevir-d4

More details:

• Systematic name

  (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-{(3S)-1-[(2,2,3,3-~2~H_4_)cyclopropylamino]-1,2-dioxo-3-hexanyl}octahydrocyclopenta[c]pyr role-1-carboxamide (non-preferred name)

• SMILES

  CCC[C@@H](C(=O)C(=O)NC1C([2H])([2H])C1([2H])[2H])N=C([C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)N=C([C@H](C4CCCCC4)N=C(C5=CN=CC=N5)O)O)O [2H]C1(C(C1([2H])[2H])NC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5)[2H]

• Std. InChi

  InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1/i15D2,16D2

• Std. InChIKey

  BBAWEDCPNXPBQM-WSZQYWDLSA-N

• Cite this record

  CSID:58784843, http://www.chemspider.com/Chemical-Structure.58784843.html (accessed 01:22, May 21, 2024)