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Alanine, 3,3'-thiobis[N-(trifluoroacetyl)-, dimethyl ester, L-
SpectraBase Compound ID bt7N83fti1
InChI InChI=1S/C12H14F6N2O6S/c1-25-7(21)5(19-9(23)11(13,14)15)3-27-4-6(8(22)26-2)20-10(24)12(16,17)18/h5-6H,3-4H2,1-2H3,(H,19,23)(H,20,24)/t5-,6?/m0/s1
InChIKey YJMKIEZRFCEKMA-ZBHICJROSA-N
Mol Weight 428.3 g/mol
Molecular Formula C12H14F6N2O6S
Exact Mass 428.047676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wMYAuvMH1U
Name Alanine, 3,3'-thiobis[N-(trifluoroacetyl)-, dimethyl ester, L-
CAS Registry Number 26527-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14F6N2O6S
InChI InChI=1S/C12H14F6N2O6S/c1-25-7(21)5(19-9(23)11(13,14)15)3-27-4-6(8(22)26-2)20-10(24)12(16,17)18/h5-6H,3-4H2,1-2H3,(H,19,23)(H,20,24)/t5-,6?/m0/s1
InChIKey YJMKIEZRFCEKMA-ZBHICJROSA-N
Molecular Weight 428.302 g/mol
SMILES N(C(C(F)(F)F)=O)C(CSC[C@](NC(C(F)(F)F)=O)(C(=O)OC)[H])C(=O)OC
SPLASH splash10-0fsi-5941000000-f6dab2917be6e4658db0
Source of Spectrum J-6-75-2
Synonyms Alanine, 3,3'-thiobis@n-(trifluoroacetyl)-, dimethyl ester, L- Methyl 3-({(2R)-3-methoxy-3-oxo-2-[(trifluoroacetyl)amino]propyl}sulfanyl)-2-[(trifluoroacetyl)amino]propanoate N,N'-bis(trifluoroacetyl)l-lanthionine dimethyl ester
Wiley ID 1380520