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4,4,4,4',4'.4'-Hexafluoro-N-(2-hydroxyethyl)-L-valyl-N-methyl-L-leucine-L-alanine tert-Butyl Ester
SpectraBase Compound ID HLaOwItvzAX
InChI InChI=1S/C21H35F6N3O5/c1-11(2)10-13(16(32)29-12(3)18(34)35-19(4,5)6)30(7)17(33)14(28-8-9-31)15(20(22,23)24)21(25,26)27/h11-15,28,31H,8-10H2,1-7H3,(H,29,32)/t12-,13-,14-/m0/s1
InChIKey CJZFAOLCQYMLAA-IHRRRGAJSA-N
Mol Weight 523.5 g/mol
Molecular Formula C21H35F6N3O5
Exact Mass 523.24809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mDVajmhOvw
Name 4,4,4,4',4'.4'-Hexafluoro-N-(2-hydroxyethyl)-L-valyl-N-methyl-L-leucine-L-alanine tert-Butyl Ester
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Formula C21H35F6N3O5
InChI InChI=1S/C21H35F6N3O5/c1-11(2)10-13(16(32)29-12(3)18(34)35-19(4,5)6)30(7)17(33)14(28-8-9-31)15(20(22,23)24)21(25,26)27/h11-15,28,31H,8-10H2,1-7H3,(H,29,32)/t12-,13-,14-/m0/s1
InChIKey CJZFAOLCQYMLAA-IHRRRGAJSA-N
Molecular Weight 523.517 g/mol
SMILES N([C@@](C)(C(=O)OC(C)(C)C)[H])C([C@@](N(C([C@](C(C(F)(F)F)C(F)(F)F)(NCCO)[H])=O)C)(CC(C)C)[H])=O
SPLASH splash10-00di-0052290000-adfbd90c1834e62ac456
Source of Spectrum H-93-1597-(S,S,S)_11d1
Synonyms tert-Butyl N-methyl-N-((S)-4,4,4-trifluoro-2-((2-hydroxyethyl)amino)-3-(trifluoromethyl)butanoyl)-L-leucyl-L-alaninate
Wiley ID 1785844