For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,4,4,4',4'.4'-Hexafluoro-N-(2-hydroxyethyl)-D-valyl-N-methyl-L-leucine-L-alanine tert-Butyl Ester
SpectraBase Compound ID KI8N49KSvIx
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-MELADBBJSA-N
Mol Weight 523.5 g/mol
Molecular Formula C21H35F6N3O5
Exact Mass 523.24809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2gOqN7qzJJe
Name 4,4,4,4',4'.4'-Hexafluoro-N-(2-hydroxyethyl)-D-valyl-N-methyl-L-leucine-L-alanine tert-Butyl Ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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-MELADBBJSA-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-0463390000-1e0d27c9945183f8375f
Source of Spectrum H-93-1597-(R,S,S)_11d2
Synonyms tert-Butyl N-methyl-N-((R)-4,4,4-trifluoro-2-((2-hydroxyethyl)amino)-3-(trifluoromethyl)butanoyl)-L-leucyl-L-alaninate
Wiley ID 1785843