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BOC-PHE-CYS(ME)-CYS(TRT)-OME
SpectraBase Compound ID 4YVjat9Ufwd
InChI InChI=1S/C41H47N3O6S2/c1-40(2,3)50-39(48)44-33(26-29-18-10-6-11-19-29)36(45)42-34(27-51-5)37(46)43-35(38(47)49-4)28-52-41(30-20-12-7-13-21-30,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-25,33-35H,26-28H2,1-5H3,(H,42,45)(H,43,46)(H,44,48)/t33?,34-,35?/m1/s1
InChIKey AWVIIBSZYMAHCM-WLSBVVGSSA-N
Mol Weight 742.0 g/mol
Molecular Formula C41H47N3O6S2
Exact Mass 741.290629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpUVYXTrjf8
Name BOC-PHE-CYS(ME)-CYS(TRT)-OME
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H47N3O6S2
InChI InChI=1S/C41H47N3O6S2/c1-40(2,3)50-39(48)44-33(26-29-18-10-6-11-19-29)36(45)42-34(27-51-5)37(46)43-35(38(47)49-4)28-52-41(30-20-12-7-13-21-30,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-25,33-35H,26-28H2,1-5H3,(H,42,45)(H,43,46)(H,44,48)/t33?,34-,35?/m1/s1
InChIKey AWVIIBSZYMAHCM-WLSBVVGSSA-N
Literature Reference Author M.MATTEUCCI,G.BHALAY,M.BRADLEY
Literature Reference Citation ORG.LETTERS,5,235(2003)
Literature Reference DOI 10.1021/ol026947i
Molecular Weight 741.961 g/mol
Sample ID 48033
Solvent CDCl3