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L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER-HYDROTRIFLUOROACETATE

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L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER-HYDROTRIFLUOROACETATE
SpectraBase Compound ID 2NIruCwOKCj
InChI InChI=1S/C38H71N5O6S2.C2HF3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-51-28-32(38(48)49-4)42-36(46)33-21-20-23-43(33)37(47)31(26-29(2)3)41-34(44)27-40-35(45)30(39)22-25-50-5;3-2(4,5)1(6)7/h29-33H,6-28,39H2,1-5H3,(H,40,45)(H,41,44)(H,42,46);(H,6,7)/t30-,31-,32-,33-;/m0./s1
InChIKey ZWJDOGZRVDZNET-TZVSIRDDSA-N
Mol Weight 872.2 g/mol
Molecular Formula C40H72F3N5O8S2
Exact Mass 871.477441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDK0drgNrTs
Name L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER-HYDROTRIFLUOROACETATE
Compound Number 51
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H72F3N5O8S2
InChI InChI=1S/C38H71N5O6S2.C2HF3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-51-28-32(38(48)49-4)42-36(46)33-21-20-23-43(33)37(47)31(26-29(2)3)41-34(44)27-40-35(45)30(39)22-25-50-5;3-2(4,5)1(6)7/h29-33H,6-28,39H2,1-5H3,(H,40,45)(H,41,44)(H,42,46);(H,6,7)/t30-,31-,32-,33-;/m0./s1
InChIKey ZWJDOGZRVDZNET-TZVSIRDDSA-N
Literature Reference Author K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,1023(2001)
Literature Reference DOI 10.1021/ja002723o
Molecular Weight 872.156 g/mol
Solvent CDCl3:CD3OD=1:1
Source File Reference UWSI23442