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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H50N4O5
Molecular Weight 642.8274
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((1S,3S,4S)-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-.ALPHA.-(2-METHYLPROPYL)-2-OXO-1(2H)-PYRIMIDINEACETAMIDE, (.ALPHA.S)-

SMILES

CC(C)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=DRVMTVSVYLFULH-CUPIEXAXSA-N
InChI=1S/C38H50N4O5/c1-26(2)21-33(42-20-12-19-39-38(42)46)37(45)40-31(22-29-15-7-5-8-16-29)24-34(43)32(23-30-17-9-6-10-18-30)41-35(44)25-47-36-27(3)13-11-14-28(36)4/h5-11,13-18,26,31-34,43H,12,19-25H2,1-4H3,(H,39,46)(H,40,45)(H,41,44)/t31-,32-,33-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H50N4O5
Molecular Weight 642.8274
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 Dec 16 10:41:03 UTC 2023
Edited
by admin
on Sat Dec 16 10:41:03 UTC 2023
Record UNII
A83TP6677T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((1S,3S,4S)-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-.ALPHA.-(2-METHYLPROPYL)-2-OXO-1(2H)-PYRIMIDINEACETAMIDE, (.ALPHA.S)-
Systematic Name English
(2S)-N-((1S,3S,4S)-1-BENZYL-4-(((2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-4-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)PENTANAMIDE
Systematic Name English
LOPINAVIR IMPURITY G [WHO-IP]
Common Name English
(.ALPHA.S)-N-((1S,3S,4S)-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-.ALPHA.-(2-METHYLPROPYL)-2-OXO-1(2H)-PYRIMIDINEACETAMIDE
Systematic Name English
LOPINAVIR LEUCINE ANALOGUE [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.-(2-METHYLPROPYL)-2-OXO-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
156613705
Created by admin on Sat Dec 16 10:41:03 UTC 2023 , Edited by admin on Sat Dec 16 10:41:03 UTC 2023
PRIMARY
FDA UNII
A83TP6677T
Created by admin on Sat Dec 16 10:41:03 UTC 2023 , Edited by admin on Sat Dec 16 10:41:03 UTC 2023
PRIMARY
CAS
1132765-60-6
Created by admin on Sat Dec 16 10:41:03 UTC 2023 , Edited by admin on Sat Dec 16 10:41:03 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Amount not specified.