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

Details

Stereochemistry ABSOLUTE
Molecular Formula C66H86N8O9
Molecular Weight 1135.4372
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Lopinavir carboxymethyl dimer

SMILES

CC(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=C(CC(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](O)C[C@H](CC5=CC=CC=C5)NC(=O)[C@H](C(C)C)N6CCCNC6=O)C=C3C)CC7=CC=CC=C7

InChI

InChIKey=YIRKCMCCJCYUTP-MTVYKSGESA-N
InChI=1S/C66H86N8O9/c1-43(2)60(73-31-19-29-67-65(73)81)63(79)69-52(35-47-21-11-7-12-22-47)40-56(75)54(37-49-25-15-9-16-26-49)71-58(77)39-51-33-45(5)62(46(6)34-51)83-42-59(78)72-55(38-50-27-17-10-18-28-50)57(76)41-53(36-48-23-13-8-14-24-48)70-64(80)61(44(3)4)74-32-20-30-68-66(74)82/h7-18,21-28,33-34,43-44,52-57,60-61,75-76H,19-20,29-32,35-42H2,1-6H3,(H,67,81)(H,68,82)(H,69,79)(H,70,80)(H,71,77)(H,72,78)/t52-,53-,54-,55-,56-,57-,60-,61-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Lopinavir carboxymethyl dimer
Common Name English
1(2H)-Pyrimidineacetamide, tetrahydro-N-[(1S,3S,4S)-3-hydroxy-4-[[2-[4-[2-[[(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-1-oxo-2-(tetrahydro-2-oxo-1(2H)-pyrimidinyl)butyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]amino]-2-oxoethoxy]-3,5-dimethylphenyl]acetyl]amin
Systematic Name English
(2S)-N-[(1S,3S,4S)-1-benzyl-4-({[4-(2-{[(1S,2S,4S)-1-benzyl-2-hydroxy-4-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoyl]amino}-5-phenylpentyl]amino}-2-oxoethyl)-2,6-dimethylphenoxy]acetyl}amino)-3-hydroxy-5-phenylpentyl]-3-methyl-2-(2-oxote
Systematic Name English
LOPINAVIR IMPURITY D [WHO-IP]
Common Name English
Code System Code Type Description
FDA UNII
VZ8PUA68U3
Created by admin on Sat Dec 16 11:20:37 GMT 2023 , Edited by admin on Sat Dec 16 11:20:37 GMT 2023
PRIMARY
PUBCHEM
162623502
Created by admin on Sat Dec 16 11:20:37 GMT 2023 , Edited by admin on Sat Dec 16 11:20:37 GMT 2023
PRIMARY
CAS
1989516-33-7
Created by admin on Sat Dec 16 11:20:37 GMT 2023 , Edited by admin on Sat Dec 16 11:20:37 GMT 2023
PRIMARY