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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H51N5O5
Molecular Weight 573.7671
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,3AS,6AR)-2-((2S)-2-(((2S)-2-AMINO-2-CYCLOHEXYL-ACETYL)AMINO)-3,3-DIMETHYL-BUTANOYL)-N-((1S)-1-(2-(CYCLOPROPYLAMINO)-2-OXO-ACETYL)BUTYL)-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](N)C3CCCCC3)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC4CC4

InChI

InChIKey=LDBSSVDAPUSACU-OJYAFYGJSA-N
InChI=1S/C31H51N5O5/c1-5-10-22(25(37)29(40)33-20-15-16-20)34-28(39)24-21-14-9-13-19(21)17-36(24)30(41)26(31(2,3)4)35-27(38)23(32)18-11-7-6-8-12-18/h18-24,26H,5-17,32H2,1-4H3,(H,33,40)(H,34,39)(H,35,38)/t19-,21-,22-,23-,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H51N5O5
Molecular Weight 573.7671
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:06:23 UTC 2023
Edited
by admin
on Thu Jul 06 20:06:23 UTC 2023
Record UNII
RH5TAU3X9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S,3AS,6AR)-2-((2S)-2-(((2S)-2-AMINO-2-CYCLOHEXYL-ACETYL)AMINO)-3,3-DIMETHYL-BUTANOYL)-N-((1S)-1-(2-(CYCLOPROPYLAMINO)-2-OXO-ACETYL)BUTYL)-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA(C)PYRROLE-3-CARBOXAMIDE
Systematic Name English
TELAPREVIR METABOLITE M12
Common Name English
Code System Code Type Description
PUBCHEM
156596607
Created by admin on Thu Jul 06 20:06:23 UTC 2023 , Edited by admin on Thu Jul 06 20:06:23 UTC 2023
PRIMARY
FDA UNII
RH5TAU3X9J
Created by admin on Thu Jul 06 20:06:23 UTC 2023 , Edited by admin on Thu Jul 06 20:06:23 UTC 2023
PRIMARY
Related Record Type Details
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