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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H39N5O6
Molecular Weight 553.651
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (33R,35S,91R,92R,5S)-5-(TERT-BUTYL)-17-METHOXY-4,7-DIOXO-2,8-DIOXA-6-AZA-1(2,3)-QUINOXALINA-3(3,1)-PYRROLIDINA-9(1,2)-CYCLOPROPANACYCLOTETRADECAPHANE-35-CARBOXAMIDE

SMILES

CC(C)(C)[C@@]1([H])C(=O)N2C[C@@]([H])(C[C@@]2([H])C(=N)O)Oc3c(CCCCC[C@]4([H])C[C@@]4([H])OC(=N1)O)nc5ccc(cc5n3)OC

InChI

InChIKey=RMFGYJNRBZOUIA-FDOFPDFBSA-N
InChI=1S/C29H39N5O6/c1-29(2,3)24-27(36)34-15-18(14-22(34)25(30)35)39-26-20(31-19-11-10-17(38-4)13-21(19)32-26)9-7-5-6-8-16-12-23(16)40-28(37)33-24/h10-11,13,16,18,22-24H,5-9,12,14-15H2,1-4H3,(H2,30,35)(H,33,37)/t16-,18-,22+,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H39N5O6
Molecular Weight 553.651
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 Sat Jun 26 04:03:40 UTC 2021
Edited
by admin
on Sat Jun 26 04:03:40 UTC 2021
Record UNII
5Z891985S0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(33R,35S,91R,92R,5S)-5-(TERT-BUTYL)-17-METHOXY-4,7-DIOXO-2,8-DIOXA-6-AZA-1(2,3)-QUINOXALINA-3(3,1)-PYRROLIDINA-9(1,2)-CYCLOPROPANACYCLOTETRADECAPHANE-35-CARBOXAMIDE
Systematic Name English
GRAZOPREVIR METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
5Z891985S0
Created by admin on Sat Jun 26 04:03:40 UTC 2021 , Edited by admin on Sat Jun 26 04:03:40 UTC 2021
PRIMARY
PUBCHEM
129308944
Created by admin on Sat Jun 26 04:03:40 UTC 2021 , Edited by admin on Sat Jun 26 04:03:40 UTC 2021
PRIMARY
Related Record Type Details
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