U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C57H66N4O7
Molecular Weight 919.1565
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N'-BIS((1S,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)UREA

SMILES

CC1=CC=CC(C)=C1OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](O)C[C@H](CC3=CC=CC=C3)NC(=O)N[C@H](C[C@H](O)[C@H](CC4=CC=CC=C4)NC(=O)COC5=C(C)C=CC=C5C)CC6=CC=CC=C6

InChI

InChIKey=JKHSDDZEXGHZDO-UTEXNEJUSA-N
InChI=1S/C57H66N4O7/c1-39-19-17-20-40(2)55(39)67-37-53(64)60-49(33-45-27-13-7-14-28-45)51(62)35-47(31-43-23-9-5-10-24-43)58-57(66)59-48(32-44-25-11-6-12-26-44)36-52(63)50(34-46-29-15-8-16-30-46)61-54(65)38-68-56-41(3)21-18-22-42(56)4/h5-30,47-52,62-63H,31-38H2,1-4H3,(H,60,64)(H,61,65)(H2,58,59,66)/t47-,48-,49-,50-,51-,52-/m0/s1

HIDE SMILES / InChI

Molecular Formula C57H66N4O7
Molecular Weight 919.1565
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:23:20 GMT 2025
Edited
by admin
on Mon Mar 31 18:23:20 GMT 2025
Record UNII
7O03BNU03T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N'-BIS((1S,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)UREA
Common Name English
LOPINAVIR AMINOALCOHOL UREA
Preferred Name English
LOPINAVIR IMPURITY T [EP IMPURITY]
Common Name English
LOPINAVIR IMPURITY, LOPINAVIR AMINOALCOHOL UREA- [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
7O03BNU03T
Created by admin on Mon Mar 31 18:23:20 GMT 2025 , Edited by admin on Mon Mar 31 18:23:20 GMT 2025
PRIMARY
PUBCHEM
76964656
Created by admin on Mon Mar 31 18:23:20 GMT 2025 , Edited by admin on Mon Mar 31 18:23:20 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY