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N-TERT.-BUTYLOXYCARBONYL-GLYCYL-(S-HEXADECYL)-L-CYSTEINE-ALLYLESTER;BOCGLYCYS(HD)OALL
SpectraBase Compound ID 5Zm9oJp3Ma
InChI InChI=1S/C29H54N2O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-37-24-25(27(33)35-21-7-2)31-26(32)23-30-28(34)36-29(3,4)5/h7,25H,2,6,8-24H2,1,3-5H3,(H,30,34)(H,31,32)/t25-/m0/s1
InChIKey YXSMCSKPORWWGD-VWLOTQADSA-N
Mol Weight 542.8 g/mol
Molecular Formula C29H54N2O5S
Exact Mass 542.375344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nUL0LKfRrH
Name N-TERT.-BUTYLOXYCARBONYL-GLYCYL-(S-HEXADECYL)-L-CYSTEINE-ALLYLESTER;BOCGLYCYS(HD)OALL
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H54N2O5S
InChI InChI=1S/C29H54N2O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-37-24-25(27(33)35-21-7-2)31-26(32)23-30-28(34)36-29(3,4)5/h7,25H,2,6,8-24H2,1,3-5H3,(H,30,34)(H,31,32)/t25-/m0/s1
InChIKey YXSMCSKPORWWGD-VWLOTQADSA-N
Literature Reference Author M.SCHELHAAS,E.NAEGELE,N.KUDER,B.BADER,J.KUHLMANN,A.WITTINGHO FER,H.WALDMANN
Literature Reference Citation CHEM.EUR.J.,5,1239(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990401)5:4<1239::aid-chem1239>3.3.co;2-e
Molecular Weight 542.818 g/mol
Solvent CDCl3