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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H45F4N5O8
Molecular Weight 751.7662
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES-(METHYLCYCLOPROPYLSULFONAMIDE)-VOXILAPREVIR

SMILES

CC[C@]1([H])[C@]2([H])CN([C@]1([H])C(=N[C@@]3(C[C@@]3([H])C(F)F)C(=O)O)O)C(=O)[C@]([H])(C(C)(C)C)N=C(O)O[C@]4([H])C[C@@]4([H])CCCCC(c5c(nc6cc(ccc6n5)OC)O2)(F)F

InChI

InChIKey=XWKBFIWNEBQUKB-HITKRFSDSA-N
InChI=1S/C36H45F4N5O8/c1-6-19-24-16-45(25(19)29(46)44-35(32(48)49)15-20(35)28(37)38)31(47)27(34(2,3)4)43-33(50)53-23-13-17(23)9-7-8-12-36(39,40)26-30(52-24)42-22-14-18(51-5)10-11-21(22)41-26/h10-11,14,17,19-20,23-25,27-28H,6-9,12-13,15-16H2,1-5H3,(H,43,50)(H,44,46)(H,48,49)/t17-,19-,20+,23-,24+,25+,27-,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H45F4N5O8
Molecular Weight 751.7662
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:51:08 UTC 2021
Edited
by admin
on Fri Jun 25 23:51:08 UTC 2021
Record UNII
DRH4W20GAD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES-(METHYLCYCLOPROPYLSULFONAMIDE)-VOXILAPREVIR
Common Name English
(1R,2R)-1-((33R,34S,35S,91R,92R,5S)-5-(TERT-BUTYL)-34-ETHYL-14,14-DIFLUORO-17-METHOXY-4,7-DIOXO-2,8-DIOXA-6-AZA-1(2,3)-QUINOXALINA-3(3,1)-PYRROLIDINA-9(1,2)-CYCLOPROPANACYCLOTETRADECAPHANE-35-CARBOXAMIDO)-2-(DIFLUOROMETHYL)CYCLOPROPANE-1-CARBOXYLIC ACID
Systematic Name English
VOXILAPREVIR METABOLITE M19
Common Name English
Code System Code Type Description
FDA UNII
DRH4W20GAD
Created by admin on Fri Jun 25 23:51:08 UTC 2021 , Edited by admin on Fri Jun 25 23:51:08 UTC 2021
PRIMARY
PUBCHEM
154925831
Created by admin on Fri Jun 25 23:51:08 UTC 2021 , Edited by admin on Fri Jun 25 23:51:08 UTC 2021
PRIMARY
Related Record Type Details
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