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N-TFA-L-prolyl-alpha-methylvaline butyl ester
SpectraBase Compound ID 2vG7aLv5z3
InChI InChI=1S/C17H27F3N2O4/c1-5-6-10-26-15(25)16(4,11(2)3)21-13(23)12-8-7-9-22(12)14(24)17(18,19)20/h11-12H,5-10H2,1-4H3,(H,21,23)/t12-,16-/m0/s1
InChIKey AACDJTNBAQCONF-LRDDRELGSA-N
Mol Weight 380.41 g/mol
Molecular Formula C17H27F3N2O4
Exact Mass 380.192292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HWOvrvDVkn
Name N-TFA-L-prolyl-alpha-methylvaline butyl ester
Alternate Name(s) Butyl (2S)-2,3-dimethyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)butanoate N-TFA-L-prolyl-.alpha.-methylvaline butyl ester
CAS Registry Number 63085-40-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27F3N2O4
InChI InChI=1S/C17H27F3N2O4/c1-5-6-10-26-15(25)16(4,11(2)3)21-13(23)12-8-7-9-22(12)14(24)17(18,19)20/h11-12H,5-10H2,1-4H3,(H,21,23)/t12-,16-/m0/s1
InChIKey AACDJTNBAQCONF-LRDDRELGSA-N
Molecular Weight 380.408 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@](C(=O)OCCCC)(C(C)C)C
SPLASH splash10-014r-9820000000-b6188584e2f3a948eec6
Source of Spectrum W5-1989-9647-1
Wiley ID 1359547