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(2S,4R,5S)-Lopinavir

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For Research Use Only | Not For Clinical Use
CATAPS1798014182
CAS1798014-18-2
Structure
SynonymsLopinavir Imp. N (EP), Lopinavir (4R) epimer, (S)-N-{(2S,4R,5S)-5-[2-(2,6-Dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-[2-oxotetrahydropyrimidin-1(2H)-yl]butanamide,(2S)-N-[(1S,3R,4S)-1-Benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenylpentyl]-3-methyl-2-[2-oxotetrahydropyrimidin-1(2H)-yl]butanamide
IUPAC Name(2S)-N-[(2S,4R,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
Molecular Weight628.80
Molecular FormulaC37H48N4O5
Canonical SMILESCC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cccc3C)Cc4ccccc4
InChIInChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32+,34-/m0/s1
Accurate Mass628.3625
FormatNeat
SubcategoryHCV protease inhibitors, Impurity standards, Enzyme inhibitors
TypeImpurity
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