Benzyl (2S)-4,4,4-Trifluoro-2-{[(1R)-1-phenylethyl]amino}-3-(trifluoromethyl)butanoate Hydrochloride

SpectraBase Compound ID	C5ozrogOHHX
InChI	InChI=1S/C20H19F6NO2.ClH/c1-13(15-10-6-3-7-11-15)27-16(17(19(21,22)23)20(24,25)26)18(28)29-12-14-8-4-2-5-9-14;/h2-11,13,16-17,27H,12H2,1H3;1H/t13-,16+;/m1./s1
InChIKey	LTKADGHIKKKKAJ-CACIRBSMSA-N Google Search
Mol Weight	455.83 g/mol
Molecular Formula	C20H20ClF6NO2
Exact Mass	455.108676 g/mol

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SpectraBase Spectrum ID	FXtCbpOERXV
Name	Benzyl (2S)-4,4,4-Trifluoro-2-{[(1R)-1-phenylethyl]amino}-3-(trifluoromethyl)butanoate Hydrochloride
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H20ClF6NO2
InChI	InChI=1S/C20H19F6NO2.ClH/c1-13(15-10-6-3-7-11-15)27-16(17(19(21,22)23)20(24,25)26)18(28)29-12-14-8-4-2-5-9-14;/h2-11,13,16-17,27H,12H2,1H3;1H/t13-,16+;/m1./s1
InChIKey	LTKADGHIKKKKAJ-CACIRBSMSA-N
Literature Reference DOI	10.1002/hlca.201000175
Molecular Weight	455.828 g/mol
SMILES	N([C@@](c1ccccc1)(C)[H])[C@](C(=O)OCc1ccccc1)(C(C(F)(F)F)C(F)(F)F)[H].Cl
SPLASH	splash10-0a4l-5920000000-a29ec1de3eb13020ae44
Source of Spectrum	H-93-1595-6d
Synonyms	4,4,4,4',4',4-Hexafluoro-N-[(1R)-1-phenylethyl]-L-valine Phenylmethyl Ester Hydrochloride benzyl (S)-4,4,4-trifluoro-2-(((R)-1-phenylethyl)amino)-3-(trifluoromethyl)butanoate hydrochloride
Wiley ID	1785848