Telaprevir

CAS Registry Number®

402957-28-2
No image available.

CAS Name

Telaprevir

Molecular Formula

C36H53N7O6

Molecular Mass

679.85

Cite this Page

Telaprevir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=402957-28-2 (retrieved 2024-03-04) (CAS RN: 402957-28-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=BBAWEDCPNXPBQM-GDEBMMAJSA-N

SMILES

C(N[C@H](C(C(NC1CC1)=O)=O)CCC)(=O)[C@@H]2[C@@]3([C@](CN2C([C@@H](NC([C@@H](NC(=O)C=4C=NC=CN4)C5CCCCC5)=O)C(C)(C)C)=O)(CCC3)[H])[H]

Canonical SMILES

O=C(NC1CC1)C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3=NC=CN=C3)C4CCCCC4)C(C)(C)C)CC5CCCC25)CCC

Other Names for this Substance

  • Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]butyl]octahydro-, (1S,3aR,6aS)-
  • Cyclopenta[c]pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1-[(cyclopropylamino)oxoacetyl]butyl]octahydro-, (1S,3aR,6aS)-
  • (1S,3aR,6aS)-(2S)-2-Cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]butyl]octahydrocyclopenta[c]pyrrole-1-carboxamide
  • VX 950
  • LY 570310

Deleted or Replaced CAS Registry Numbers

569364-34-7

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