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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40N6O4
Molecular Weight 512.6443
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,3AS,6AR)-2-((2S)-2-(((2S)-2-CYCLOHEXYL-2-(PYRAZINE-2-CARBONYLAMINO)ACETYL)AMINO)-3,3-DIMETHYL-BUTANOYL)-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA(C)PYRROLE-3-CARBOXAMIDE

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(N)=O

InChI

InChIKey=OGPCBCPSBXYSGK-OOOLTRJPSA-N
InChI=1S/C27H40N6O4/c1-27(2,3)22(26(37)33-15-17-10-7-11-18(17)21(33)23(28)34)32-25(36)20(16-8-5-4-6-9-16)31-24(35)19-14-29-12-13-30-19/h12-14,16-18,20-22H,4-11,15H2,1-3H3,(H2,28,34)(H,31,35)(H,32,36)/t17-,18-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H40N6O4
Molecular Weight 512.6443
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:03:42 UTC 2023
Edited
by admin
on Thu Jul 06 20:03:42 UTC 2023
Record UNII
TST2KY7NE6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S,3AS,6AR)-2-((2S)-2-(((2S)-2-CYCLOHEXYL-2-(PYRAZINE-2-CARBONYLAMINO)ACETYL)AMINO)-3,3-DIMETHYL-BUTANOYL)-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA(C)PYRROLE-3-CARBOXAMIDE
Systematic Name English
CYCLOPENTA(C)PYRROLE-1-CARBOXAMIDE, 2-((2S)-2-(((2S)-2-CYCLOHEXYL-2-((2-PYRAZINYLCARBONYL)AMINO)ACETYL)AMINO)-3,3-DIMETHYL-1-OXOBUTYL)OCTAHYDRO-, (1S,3AR,6AS)-
Systematic Name English
TELAPREVIR METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
70797827
Created by admin on Thu Jul 06 20:03:42 UTC 2023 , Edited by admin on Thu Jul 06 20:03:42 UTC 2023
PRIMARY
CAS
1616728-72-3
Created by admin on Thu Jul 06 20:03:42 UTC 2023 , Edited by admin on Thu Jul 06 20:03:42 UTC 2023
PRIMARY
FDA UNII
TST2KY7NE6
Created by admin on Thu Jul 06 20:03:42 UTC 2023 , Edited by admin on Thu Jul 06 20:03:42 UTC 2023
PRIMARY
Related Record Type Details
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