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DL-Tyrosine, 3-methoxy-O-methyl-N-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl) -, methyl ester, (S)-
SpectraBase Compound ID 22IkLHCuvKv
InChI InChI=1S/C22H24F3NO6/c1-29-17-11-10-14(13-18(17)30-2)12-16(19(27)31-3)26-20(28)21(32-4,22(23,24)25)15-8-6-5-7-9-15/h5-11,13,16H,12H2,1-4H3,(H,26,28)/t16?,21-/m0/s1
InChIKey IJDIBRWKGLUMRH-MRNPHLECSA-N
Mol Weight 455.43 g/mol
Molecular Formula C22H24F3NO6
Exact Mass 455.155572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5d1praOi2ZZ
Name DL-Tyrosine, 3-methoxy-O-methyl-N-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl) -, methyl ester, (S)-
CAS Registry Number 67472-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24F3NO6
InChI InChI=1S/C22H24F3NO6/c1-29-17-11-10-14(13-18(17)30-2)12-16(19(27)31-3)26-20(28)21(32-4,22(23,24)25)15-8-6-5-7-9-15/h5-11,13,16H,12H2,1-4H3,(H,26,28)/t16?,21-/m0/s1
InChIKey IJDIBRWKGLUMRH-MRNPHLECSA-N
Molecular Weight 455.430 g/mol
SMILES N(C([C@](C(F)(F)F)(c1ccccc1)OC)=O)C(C(=O)OC)Cc1cc(OC)c(cc1)OC
SPLASH splash10-0fk9-0890000000-0089768a4e18411cc7c2
Source of Spectrum KO-5-35-1
Synonyms Methyl 3-(3,4-dimethoxyphenyl)-2-{[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino}propanoate N-((S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetyl)-3,4-dimethoxyphenylalamine methyl ester
Wiley ID 1389005