(1S,3aR,6aS)-2-[(2R)-2-({(2R)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]octahydrocyclopenta[c]pyrrole-1-carboxamid e (non-preferred name)

More details:

• Systematic name

  (1S,3aR,6aS)-2-[(2R)-2-({(2R)-2-Cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]octahydrocyclopenta[c]pyrrole-1-carboxamid e (non-preferred name)

• SMILES

  CCC[C@@H](C(=O)C(=O)NC1CC1)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 CCC[C@@H](C(=O)C(=O)NC1CC1)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

• 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

• Std. InChIKey

  BBAWEDCPNXPBQM-NGQAKOOISA-N

• Cite this record

  CSID:58792045, http://www.chemspider.com/Chemical-Structure.58792045.html (accessed 08:27, Apr 19, 2024)