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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H62N6O7
Molecular Weight 811.0205
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOPINAVIR O-ACYL

SMILES

CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](OC(=O)[C@H](C(C)C)N2CCCNC2=O)[C@H](CC3=CC=CC=C3)NC(=O)COC4=C(C)C=CC=C4C)CC5=CC=CC=C5

InChI

InChIKey=MXYNNFOWSAAISV-GMKKBYQQSA-N
InChI=1S/C46H62N6O7/c1-30(2)40(51-24-14-22-47-45(51)56)43(54)49-36(26-34-18-9-7-10-19-34)28-38(59-44(55)41(31(3)4)52-25-15-23-48-46(52)57)37(27-35-20-11-8-12-21-35)50-39(53)29-58-42-32(5)16-13-17-33(42)6/h7-13,16-21,30-31,36-38,40-41H,14-15,22-29H2,1-6H3,(H,47,56)(H,48,57)(H,49,54)(H,50,53)/t36-,37-,38-,40-,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula C46H62N6O7
Molecular Weight 811.0205
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 Fri Dec 15 16:31:12 GMT 2023
Edited
by admin
on Fri Dec 15 16:31:12 GMT 2023
Record UNII
MY30811HBP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOPINAVIR O-ACYL
Common Name English
LOPINAVIR IMPURITY O [EP IMPURITY]
Common Name English
LOPINAVIR O-ACYL [USP IMPURITY]
Common Name English
(S)-((2S,3S,5S)-2-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-5-((S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDO)-1,6-DIPHENYLHEXAN-3-YL( 3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOATE
Systematic Name English
(1S,3S)-1-((1S)-1-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-2-PHENYLETHYL)-3-(((2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL)AMINO)-4-PHENYLBUTYL (2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOATE
Systematic Name English
(2S,3S,5S)-2-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-5-((S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDO)-1,6-DIPHENYLHEXAN-3-YL (S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOATE
Systematic Name English
((2S,3S,5S)-2-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-5-((S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDO)-1,6-DIPHENYLHEXAN-3-YL) 3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOATE, (S)-
Common Name English
(S)-((2S,3S,5S)-2-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-5-((S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDO)-1,6-DIPHENYLHEXAN-3-YL) 3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOATE
Systematic Name English
Code System Code Type Description
DAILYMED
MY30811HBP
Created by admin on Fri Dec 15 16:31:12 GMT 2023 , Edited by admin on Fri Dec 15 16:31:12 GMT 2023
PRIMARY
PUBCHEM
76962151
Created by admin on Fri Dec 15 16:31:12 GMT 2023 , Edited by admin on Fri Dec 15 16:31:12 GMT 2023
PRIMARY
RXCUI
1599828
Created by admin on Fri Dec 15 16:31:12 GMT 2023 , Edited by admin on Fri Dec 15 16:31:12 GMT 2023
PRIMARY RxNorm
FDA UNII
MY30811HBP
Created by admin on Fri Dec 15 16:31:12 GMT 2023 , Edited by admin on Fri Dec 15 16:31:12 GMT 2023
PRIMARY