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L-Homocysteine, S-[3-butoxy-3-oxo-2-[(trifluoroacetyl)amino]propyl]-N-(trifluoroacetyl)-, butyl ester, (R)-
SpectraBase Compound ID DO3N6Mq5vzg
InChI InChI=1S/C19H28F6N2O6S/c1-3-5-8-32-14(28)12(26-16(30)18(20,21)22)7-10-34-11-13(15(29)33-9-6-4-2)27-17(31)19(23,24)25/h12-13H,3-11H2,1-2H3,(H,26,30)(H,27,31)
InChIKey RKBMKRLGTVFFDO-UHFFFAOYSA-N
Mol Weight 526.49 g/mol
Molecular Formula C19H28F6N2O6S
Exact Mass 526.157227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fejGN55COw
Name L-Homocysteine, S-[3-butoxy-3-oxo-2-[(trifluoroacetyl)amino]propyl]-N-(trifluoroacetyl)-, butyl ester, (R)-
CAS Registry Number 55518-00-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28F6N2O6S
InChI InChI=1S/C19H28F6N2O6S/c1-3-5-8-32-14(28)12(26-16(30)18(20,21)22)7-10-34-11-13(15(29)33-9-6-4-2)27-17(31)19(23,24)25/h12-13H,3-11H2,1-2H3,(H,26,30)(H,27,31)
InChIKey RKBMKRLGTVFFDO-UHFFFAOYSA-N
Molecular Weight 526.491 g/mol
SMILES N(C(CCSCC(NC(C(F)(F)F)=O)C(OCCCC)=O)C(OCCCC)=O)C(C(F)(F)F)=O
SPLASH splash10-0006-9200000000-46e024e33e84b8de08b1
Source of Spectrum AM-0-24-0
Synonyms Butyl 4-((3-butoxy-3-oxo-2-[(trifluoroacetyl)amino]propyl)sulfanyl)-2-[(trifluoroacetyl)amino]butanoate 4-[[3-butoxy-3-keto-2-[(2,2,2-trifluoroacetyl)amino]propyl]thio]-2-[(2,2,2-trifluoroacetyl)amino]butyric acid butyl ester 4-[[3-butoxy-3-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]thio]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid butyl ester Butyl 4-[3-butoxy-3-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]propyl]sulfanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate Butyl 4-[3-butoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
Wiley ID 63730