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(2S,3S)-1,4-Di(2-N-ter-butoxycarbonylaniline)-2,3-dimethanesulfonylbutane
SpectraBase Compound ID DbQOsEr7B2x
InChI InChI=1S/C28H40N2O10S2/c1-27(2,3)37-25(31)29-21-15-11-9-13-19(21)17-23(39-41(7,33)34)24(40-42(8,35)36)18-20-14-10-12-16-22(20)30-26(32)38-28(4,5)6/h9-16,23-24H,17-18H2,1-8H3,(H,29,31)(H,30,32)/t23-,24-/m0/s1
InChIKey WIUZJVSQNHPRIA-ZEQRLZLVSA-N
Mol Weight 628.8 g/mol
Molecular Formula C28H40N2O10S2
Exact Mass 628.212438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50T6f4BF3g
Name (2S,3S)-1,4-Di(2-N-ter-butoxycarbonylaniline)-2,3-dimethanesulfonylbutane
Alternate Name(s) Methanesulfonic acid (1S,2S)-1-(2-tert-butoxycarbonylamino-benzyl)-3-(2-tert-butoxycarbonylamino-phenyl)-2-methanesulfonyloxy-propyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C28H40N2O10S2
InChI InChI=1S/C28H40N2O10S2/c1-27(2,3)37-25(31)29-21-15-11-9-13-19(21)17-23(39-41(7,33)34)24(40-42(8,35)36)18-20-14-10-12-16-22(20)30-26(32)38-28(4,5)6/h9-16,23-24H,17-18H2,1-8H3,(H,29,31)(H,30,32)/t23-,24-/m0/s1
InChIKey WIUZJVSQNHPRIA-ZEQRLZLVSA-N
Molecular Weight 628.752 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c(C[C@@]([C@](Cc2c(NC(OC(C)(C)C)=O)cccc2)(OS(=O)(=O)C)[H])(OS(=O)(=O)C)[H])cccc1
SPLASH splash10-014i-0900000000-5894a88a6137c8b0a20b
Source of Spectrum F-66-6968-9
Wiley ID 1713020