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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H58N4O7
Molecular Weight 790.9878
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-N-((1S,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)-3-METHYLBUTANAMIDE

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(C(=O)COc5c(C)cccc5C)C4=O

InChI

InChIKey=UHWCOWBJLYNDGZ-PUTFYWIISA-N
InChI=1S/C47H58N4O7/c1-31(2)43(51-25-15-24-50(47(51)56)42(54)30-58-45-34(5)18-14-19-35(45)6)46(55)48-38(26-36-20-9-7-10-21-36)28-40(52)39(27-37-22-11-8-12-23-37)49-41(53)29-57-44-32(3)16-13-17-33(44)4/h7-14,16-23,31,38-40,43,52H,15,24-30H2,1-6H3,(H,48,55)(H,49,53)/t38-,39-,40-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula C47H58N4O7
Molecular Weight 790.9878
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:29:01 UTC 2021
Edited
by admin
on Sat Jun 26 02:29:01 UTC 2021
Record UNII
91JKZ2D33X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-N-((1S,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)-3-METHYLBUTANAMIDE
Systematic Name English
LOPINAVIR N-ACYL
Common Name English
LOPINAVIR IMPURITY I [WHO-IP]
Common Name English
LOPINAVIR SPECIFIED IMPURITY R [EP]
Common Name English
DIACYLATED LOPINAVIR [WHO-IP]
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR N-ACYL- [USP]
Common Name English
N-((2S,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL(-3-METHYLBUTANAMIDE, (S)-
Common Name English
(S)-N-((2S,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-2-(3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL(-3-METHYLBUTANAMIDE
Systematic Name English
1(2H)-PYRIMIDINEACETAMIDE, 3-(2-(2,6-DIMETHYLPHENOXY)ACETYL)-N-((1S,3S,4S)-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-.ALPHA.-(1-METHYLETHYL)-2-OXO-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71587880
Created by admin on Sat Jun 26 02:29:01 UTC 2021 , Edited by admin on Sat Jun 26 02:29:01 UTC 2021
PRIMARY
FDA UNII
91JKZ2D33X
Created by admin on Sat Jun 26 02:29:01 UTC 2021 , Edited by admin on Sat Jun 26 02:29:01 UTC 2021
PRIMARY
CAS
943250-66-6
Created by admin on Sat Jun 26 02:29:01 UTC 2021 , Edited by admin on Sat Jun 26 02:29:01 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Amount not specified.