U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H48N4O5
Molecular Weight 628.8022
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOPINAVIR, D-VALINE DIASTEREOMER-

SMILES

CC(C)[C@]([H])(C(=N[C@@]([H])(Cc1ccccc1)C[C@@]([H])([C@]([H])(Cc2ccccc2)N=C(COc3c(C)cccc3C)O)O)O)N4CCCN=C4O

InChI

InChIKey=KJHKTHWMRKYKJE-UQJYGFKOSA-N
InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34+/m0/s1

HIDE SMILES / InChI
Molecular Formula C37H48N4O5
Molecular Weight 628.8022
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Lopinavir D-Valine Diastereomer, a selective HIV protease inhibitor, possesses similar properties with lopinavir.

Approval Year

Unknown
109281
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
7728
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Jun 26 09:40:45 UTC 2021
Edited
by admin
on Sat Jun 26 09:40:45 UTC 2021
Record UNII
13246C84TX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOPINAVIR, D-VALINE DIASTEREOMER-
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR D- VALINE DIASTEREOMER-
USP  
Common Name English
LOPINAVIR, (R-(2S,4S,5S))-
Common Name English
LOPINAVIR IMPURITY K [EP]
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR D- VALINE DIASTEREOMER- [USP]
Common Name English
LOPINAVIR, (R)-
Common Name English
(2R)-N-((1S,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE
Systematic Name English
LOPINAVIR D- VALINE DIASTEREOMER
Common Name English
N-((2S,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE, (R)-
Common Name English
Code System Code Type Description
PUBCHEM
6850809
Created by admin on Sat Jun 26 09:40:45 UTC 2021 , Edited by admin on Sat Jun 26 09:40:45 UTC 2021
PRIMARY
FDA UNII
13246C84TX
Created by admin on Sat Jun 26 09:40:45 UTC 2021 , Edited by admin on Sat Jun 26 09:40:45 UTC 2021
PRIMARY
Related Record Type Details
Structure of LOPINAVIR
PARENT -> IMPURITY
UNSPECIFIED
EP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966