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(2,6-Xylyloxy)acetyl Lopinavir

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For Research Use Only | Not For Clinical Use
CATAPS943250655
CAS943250-65-5
Structure
Synonyms(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 2-(2,6-dimethylphenoxy)acetate, Acetic acid, 2-(2,6-dimethylphenoxy)-, (1S,3S)-1-[(1S)-1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-phenylethyl]-3-[[(2S)-3-methyl-1-oxo-2-(tetrahydro-2-oxo-1(2H)-pyrimidinyl)butyl]amino]-4-phenylbutyl ester, Lopinavir Imp. S (EP), Lopinavir O-(2,6-dimethylphenoxy)acetyl, O-(2,6-Xylyloxy)acetyl Lopinavir, (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 2-(2,6-dimethylphenoxy)acetate
IUPAC Name[(2S,3S,5S)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-[[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenylhexan-3-yl] 2-(2,6-dimethylphenoxy)acetate
Molecular Weight790.99
Molecular FormulaC47H58N4O7
Canonical SMILESCC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](OC(=O)COc2c(C)cccc2C)[C@H](Cc3ccccc3)NC(=O)COc4c(C)cccc4C)Cc5ccccc5
InChIInChI=1S/C47H58N4O7/c1-31(2)43(51-25-15-24-48-47(51)55)46(54)49-38(26-36-20-9-7-10-21-36)28-40(58-42(53)30-57-45-34(5)18-14-19-35(45)6)39(27-37-22-11-8-12-23-37)50-41(52)29-56-44-32(3)16-13-17-33(44)4/h7-14,16-23,31,38-40,43H,15,24-30H2,1-6H3,(H,48,55)(H,49,54)(H,50,52)/t38-,39-,40-,43-/m0/s1
Accurate Mass790.4306
FormatNeat
SubcategoryHCV protease inhibitors, Impurity standards
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  • Verification code
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