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Details

Stereochemistry EPIMERIC
Molecular Formula C36H55N7O6
Molecular Weight 681.8652
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TELAPREVIR, (.ALPHA.-KETOAMIDE BOND REDUCED)-

SMILES

[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C3=CN=CC=N3)C4CCCCC4)C(C)(C)C)C(=O)N[C@@H](CCC)C(O)C(=O)NC5CC5

InChI

InChIKey=FTZGWEAUHOMNIG-FAIVAVRGSA-N
InChI=1S/C36H55N7O6/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/h17-19,21-25,27-30,44H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,29?,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H55N7O6
Molecular Weight 681.8652
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 14:28:39 UTC 2023
Edited
by admin
on Thu Jul 06 14:28:39 UTC 2023
Record UNII
ZDU3WB34L8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TELAPREVIR, (.ALPHA.-KETOAMIDE BOND REDUCED)-
Common Name English
TELAPREVIR METABOLITE M3
Common Name English
CYCLOPENTA(C)PYRROLE-1-CARBOXAMIDE, (2S)-2-CYCLOHEXYL-N-(2-PYRAZINYLCARBONYL)GLYCYL-3-METHYL-L-VALYL-N-((1S)-1-(2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL)BUTYL)OCTAHYDRO-, (1S,3AR,6AS)-
Systematic Name English
(3S,3AS,6AR)-2-((2S)-2-(((2S)-2-CYCLOHEXYL-2-(PYRAZINE-2-CARBONYLAMINO)ACETYL)AMINO)-3,3-DIMETHYL-BUTANOYL)-N-((1S)-1-(2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXO-ETHYL)BUTYL)-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA(C)PYRROLE-3-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
402959-36-8
Created by admin on Thu Jul 06 14:28:39 UTC 2023 , Edited by admin on Thu Jul 06 14:28:39 UTC 2023
PRIMARY
PUBCHEM
23634854
Created by admin on Thu Jul 06 14:28:39 UTC 2023 , Edited by admin on Thu Jul 06 14:28:39 UTC 2023
PRIMARY
FDA UNII
ZDU3WB34L8
Created by admin on Thu Jul 06 14:28:39 UTC 2023 , Edited by admin on Thu Jul 06 14:28:39 UTC 2023
PRIMARY
Related Record Type Details
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