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L-Isoleucine, N-[1-(trifluoroacetyl)-L-prolyl]-, methyl ester
SpectraBase Compound ID Jw6gcjJXaIx
InChI InChI=1S/C14H21F3N2O4/c1-4-8(2)10(12(21)23-3)18-11(20)9-6-5-7-19(9)13(22)14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,20)/t8-,9-,10-/m0/s1
InChIKey ZYBRZPYFDZUSCO-GUBZILKMSA-N
Mol Weight 338.33 g/mol
Molecular Formula C14H21F3N2O4
Exact Mass 338.145342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1k5Y28N8lYF
Name L-Isoleucine, N-[1-(trifluoroacetyl)-L-prolyl]-, methyl ester
Alternate Name(s) Methyl (2S,3S)-3-methyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)pentanoate TFA-PRO-ILEU-OME
CAS Registry Number 52183-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21F3N2O4
InChI InChI=1S/C14H21F3N2O4/c1-4-8(2)10(12(21)23-3)18-11(20)9-6-5-7-19(9)13(22)14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,20)/t8-,9-,10-/m0/s1
InChIKey ZYBRZPYFDZUSCO-GUBZILKMSA-N
Molecular Weight 338.327 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@](C(=O)OC)([C@](CC)(C)[H])[H]
SPLASH splash10-0159-9520000000-fa6c89395c7ce5b6d540
Source of Spectrum E-42-1129-7
Wiley ID 50378