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Details

Stereochemistry ACHIRAL
Molecular Formula C38H50N4O5
Molecular Weight 642.8274
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (?S)-N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-?-[(1S)-1-methylpropyl]-2-oxo-1(2H)-pyrimidineacetamide

SMILES

CC[C@H](C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)COC3=C(C)C=CC=C3C)CC4=CC=CC=C4

InChI

InChIKey=YORYEDPQPARBHF-KPWATQDOSA-N
InChI=1S/C38H50N4O5/c1-5-26(2)35(42-21-13-20-39-38(42)46)37(45)40-31(22-29-16-8-6-9-17-29)24-33(43)32(23-30-18-10-7-11-19-30)41-34(44)25-47-36-27(3)14-12-15-28(36)4/h6-12,14-19,26,31-33,35,43H,5,13,20-25H2,1-4H3,(H,39,46)(H,40,45)(H,41,44)/t26-,31-,32-,33-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H50N4O5
Molecular Weight 642.8274
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 Mon Mar 31 23:23:23 GMT 2025
Edited
by admin
on Mon Mar 31 23:23:23 GMT 2025
Record UNII
G2LP85XNK9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(?S)-N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-?-[(1S)-1-methylpropyl]-2-oxo-1(2H)-pyrimidineacetamide
Systematic Name English
(2S,3S)-N-((1S,3S,4S)-1-BENZYL-4-(((2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)PENTANAMIDE
Preferred Name English
LOPINAVIR ISOLEUCINE ANALOGUE [WHO-IP]
Common Name English
LOPINAVIR IMPURITY F [WHO-IP]
Common Name English
1(2H)-PYRIMIDINEACETAMIDE, N-((1S,3S,4S)-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-.ALPHA.-((1S)-1-METHYLPROPYL)-2-OXO-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
FDA UNII
G2LP85XNK9
Created by admin on Mon Mar 31 23:23:23 GMT 2025 , Edited by admin on Mon Mar 31 23:23:23 GMT 2025
PRIMARY
CAS
1132765-59-3
Created by admin on Mon Mar 31 23:23:23 GMT 2025 , Edited by admin on Mon Mar 31 23:23:23 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Amount not specified.