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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H56F2N6O8S2
Molecular Weight 911.088
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELDEPREVIR

SMILES

[H][C@@]12C[C@]1(NC(=O)[C@]3([H])C[C@H](CN3C(=O)[C@@H](CC(=O)N4CCCC(F)(F)C4)CCCCCC=C2)OC5=CC(=NC6=C(C)C(OC)=CC=C56)C7=NC(=CS7)C(C)C)C(=O)NS(=O)(=O)C8CC8

InChI

InChIKey=UDMJANYPQWEDFT-ZAWFUYGJSA-N
InChI=1S/C45H56F2N6O8S2/c1-26(2)34-24-62-41(49-34)33-21-37(32-15-16-36(60-4)27(3)39(32)48-33)61-30-20-35-40(55)50-45(43(57)51-63(58,59)31-13-14-31)22-29(45)12-9-7-5-6-8-11-28(42(56)53(35)23-30)19-38(54)52-18-10-17-44(46,47)25-52/h9,12,15-16,21,24,26,28-31,35H,5-8,10-11,13-14,17-20,22-23,25H2,1-4H3,(H,50,55)(H,51,57)/b12-9-/t28-,29-,30-,35+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula C45H56F2N6O8S2
Molecular Weight 911.088
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 Dec 16 02:10:30 UTC 2023
Edited
by admin
on Sat Dec 16 02:10:30 UTC 2023
Record UNII
5ZT4SBY0BD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELDEPREVIR
INN   USAN  
USAN   INN  
Official Name English
NECEPREVIR
WHO-DD  
Common Name English
Deldeprevir [WHO-DD]
Common Name English
ACH-0142684
Code English
ACH-2684
Code English
DELDEPREVIR [USAN]
Common Name English
deldeprevir [INN]
Common Name English
Code System Code Type Description
SMS_ID
300000034165
Created by admin on Sat Dec 16 02:10:30 UTC 2023 , Edited by admin on Sat Dec 16 02:10:30 UTC 2023
PRIMARY
ChEMBL
CHEMBL3040582
Created by admin on Sat Dec 16 02:10:30 UTC 2023 , Edited by admin on Sat Dec 16 02:10:30 UTC 2023
PRIMARY
PUBCHEM
56935739
Created by admin on Sat Dec 16 02:10:30 UTC 2023 , Edited by admin on Sat Dec 16 02:10:30 UTC 2023
PRIMARY
CAS
1229626-28-1
Created by admin on Sat Dec 16 02:10:30 UTC 2023 , Edited by admin on Sat Dec 16 02:10:30 UTC 2023
PRIMARY
USAN
YY-152
Created by admin on Sat Dec 16 02:10:30 UTC 2023 , Edited by admin on Sat Dec 16 02:10:30 UTC 2023
PRIMARY
NCI_THESAURUS
C166876
Created by admin on Sat Dec 16 02:10:30 UTC 2023 , Edited by admin on Sat Dec 16 02:10:30 UTC 2023
PRIMARY
FDA UNII
5ZT4SBY0BD
Created by admin on Sat Dec 16 02:10:30 UTC 2023 , Edited by admin on Sat Dec 16 02:10:30 UTC 2023
PRIMARY
INN
9600
Created by admin on Sat Dec 16 02:10:30 UTC 2023 , Edited by admin on Sat Dec 16 02:10:30 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET ORGANISM->INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY