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Tab cystine
SpectraBase Compound ID 6ubTllfYZ5F
InChI InChI=1S/C18H26F6N2O6S2/c1-3-5-7-31-13(27)11(25-15(29)17(19,20)21)9-33-34-10-12(14(28)32-8-6-4-2)26-16(30)18(22,23)24/h11-12H,3-10H2,1-2H3,(H,25,29)(H,26,30)/t11-,12?/m0/s1
InChIKey VOZVGCFMNAICLP-PXYINDEMSA-N
Mol Weight 544.52 g/mol
Molecular Formula C18H26F6N2O6S2
Exact Mass 544.113648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XtEx7PXRd6
Name Tab cystine
Alternate Name(s) Butyl 3-({(2R)-3-butoxy-3-oxo-2-[(trifluoroacetyl)amino]propyl}disulfanyl)-2-[(trifluoroacetyl)amino]propanoate N,N'-bis(Trifluoroacetyl)-cystine-dibutyl ester (2R)-3-[[3-butoxy-3-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]disulfanyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid butyl ester Butyl (2R)-3-[[3-butoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate Butyl (2R)-3-[[3-butoxy-3-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]propyl]disulfanyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
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Formula C18H26F6N2O6S2
InChI InChI=1S/C18H26F6N2O6S2/c1-3-5-7-31-13(27)11(25-15(29)17(19,20)21)9-33-34-10-12(14(28)32-8-6-4-2)26-16(30)18(22,23)24/h11-12H,3-10H2,1-2H3,(H,25,29)(H,26,30)/t11-,12?/m0/s1
InChIKey VOZVGCFMNAICLP-PXYINDEMSA-N
Molecular Weight 544.524 g/mol
SMILES N(C(C(F)(F)F)=O)C(CSSC[C@](NC(C(F)(F)F)=O)(C(=O)OCCCC)[H])C(=O)OCCCC
SPLASH splash10-0ap0-8910000000-cac03fdf42b2d392eb85
Source of Spectrum D3-1980-450-14
Wiley ID 1404988