(2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity)

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CATAPS130793281
CAS130793-28-1
Structure
Synonyms(2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid,N-Formyl-L-leucine (1S)-1-[(2R,3S)-3-Carboxy-2-hydroxynonyl]dodecyl Ester
IUPAC Name(2S,3R,5S)-5-[(2S)-2-formamido-4-methylpentanoyl]oxy-2-hexyl-3-hydroxyhexadecanoic acid
Molecular Weight513.7501
Molecular FormulaC29H55NO6
Canonical SMILESCCCCCCCCCCC[C@@H](C[C@@H](O)[C@H](CCCCCC)C(=O)O)OC(=O)[C@H](CC(C)C)NC=O
InChIInChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27+/m0/s1
Accurate Mass513.4029
FormatNeat
Product TypeImpurity
SubcategoryImpurity standards, Chiral molecules, Amino acids
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