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N-Tfa-L-prolylphenylalanine butyl ester
SpectraBase Compound ID BIceIBuktbF
InChI InChI=1S/C20H25F3N2O4/c1-2-3-12-29-18(27)15(13-14-8-5-4-6-9-14)24-17(26)16-10-7-11-25(16)19(28)20(21,22)23/h4-6,8-9,15-16H,2-3,7,10-13H2,1H3,(H,24,26)/t15-,16-/m0/s1
InChIKey UKHHEYDSLZYEOL-HOTGVXAUSA-N
Mol Weight 414.43 g/mol
Molecular Formula C20H25F3N2O4
Exact Mass 414.176642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpPPCAhotBD
Name N-Tfa-L-prolylphenylalanine butyl ester
CAS Registry Number 55610-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25F3N2O4
InChI InChI=1S/C20H25F3N2O4/c1-2-3-12-29-18(27)15(13-14-8-5-4-6-9-14)24-17(26)16-10-7-11-25(16)19(28)20(21,22)23/h4-6,8-9,15-16H,2-3,7,10-13H2,1H3,(H,24,26)/t15-,16-/m0/s1
InChIKey UKHHEYDSLZYEOL-HOTGVXAUSA-N
Molecular Weight 414.425 g/mol
SMILES N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@](C(=O)OCCCC)(Cc1ccccc1)[H]
SPLASH splash10-016s-4910000000-4e34d8491ab6afd5e057
Source of Spectrum W5-1989-9623-1
Synonyms Butyl (2S)-3-phenyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)propanoate
Wiley ID 1375274