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4,4,4,4',4',4'-Hexafluoro-N-hydroxyvalyl-N-methyl-L-leucyl-L-alanine Benzyl Ester
SpectraBase Compound ID 2QH96Zaxk8s
InChI InChI=1S/C22H29F6N3O5/c1-12(2)10-15(18(32)29-13(3)20(34)36-11-14-8-6-5-7-9-14)31(4)19(33)16(30-35)17(21(23,24)25)22(26,27)28/h5-9,12-13,15-17,30,35H,10-11H2,1-4H3,(H,29,32)/t13-,15-,16-/m0/s1
InChIKey INVWPMKSUBNVKS-BPUTZDHNSA-N
Mol Weight 529.48 g/mol
Molecular Formula C22H29F6N3O5
Exact Mass 529.20114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oTrvP0dmvC
Name 4,4,4,4',4',4'-Hexafluoro-N-hydroxyvalyl-N-methyl-L-leucyl-L-alanine Benzyl Ester
Alternate Name(s) benzyl N-methyl-N-((S)-4,4,4-trifluoro-2-(hydroxyamino)-3-(trifluoromethyl)butanoyl)-L-leucyl-L-alaninate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29F6N3O5
InChI InChI=1S/C22H29F6N3O5/c1-12(2)10-15(18(32)29-13(3)20(34)36-11-14-8-6-5-7-9-14)31(4)19(33)16(30-35)17(21(23,24)25)22(26,27)28/h5-9,12-13,15-17,30,35H,10-11H2,1-4H3,(H,29,32)/t13-,15-,16-/m0/s1
InChIKey INVWPMKSUBNVKS-BPUTZDHNSA-N
Molecular Weight 529.480 g/mol
SMILES N([C@@](C)(C(=O)OCc1ccccc1)[H])C([C@@](N(C([C@](C(C(F)(F)F)C(F)(F)F)(NO)[H])=O)C)(CC(C)C)[H])=O
SPLASH splash10-0udi-0009000000-0d01b427d9a7d987ee10
Source of Spectrum H-93-1596-11c2
Wiley ID 1785847