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N-TFA-L-prolyl-alpha-methylleucine butyl ester
SpectraBase Compound ID 6wxVPRoQsjU
InChI InChI=1S/C18H29F3N2O4/c1-5-6-10-27-16(26)17(4,11-12(2)3)22-14(24)13-8-7-9-23(13)15(25)18(19,20)21/h12-13H,5-11H2,1-4H3,(H,22,24)/t13-,17-/m0/s1
InChIKey ARCFPFFJJVVOHF-GUYCJALGSA-N
Mol Weight 394.44 g/mol
Molecular Formula C18H29F3N2O4
Exact Mass 394.207942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lqkc5hM1coM
Name N-TFA-L-prolyl-alpha-methylleucine butyl ester
CAS Registry Number 63085-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29F3N2O4
InChI InChI=1S/C18H29F3N2O4/c1-5-6-10-27-16(26)17(4,11-12(2)3)22-14(24)13-8-7-9-23(13)15(25)18(19,20)21/h12-13H,5-11H2,1-4H3,(H,22,24)/t13-,17-/m0/s1
InChIKey ARCFPFFJJVVOHF-GUYCJALGSA-N
Molecular Weight 394.435 g/mol
SMILES N([C@](C(=O)OCCCC)(CC(C)C)C)C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O
SPLASH splash10-014l-2920000000-17e0051d565b4b3a9cad
Source of Spectrum W5-1989-9648-1
Synonyms Butyl (2S)-2,4-dimethyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)pentanoate N-TFA-L-prolyl-.alpha.-methylleucine butyl ester
Wiley ID 1366518