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N-TERT.-BUTYLOXYCARBONYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER
SpectraBase Compound ID 5Pa5XdJdZWH
InChI InChI=1S/C43H79N5O8S2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-58-31-35(41(53)55-7)46-39(51)36-24-23-26-48(36)40(52)34(29-32(2)3)45-37(49)30-44-38(50)33(25-28-57-8)47-42(54)56-43(4,5)6/h32-36H,9-31H2,1-8H3,(H,44,50)(H,45,49)(H,46,51)(H,47,54)/t33-,34+,35+,36+/m1/s1
InChIKey YFUKBTJQVMCCOO-WISKXVKBSA-N
Mol Weight 858.3 g/mol
Molecular Formula C43H79N5O8S2
Exact Mass 857.537007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3V3YQwnacL9
Name N-TERT.-BUTYLOXYCARBONYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER
Compound Number 50
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H79N5O8S2
InChI InChI=1S/C43H79N5O8S2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-58-31-35(41(53)55-7)46-39(51)36-24-23-26-48(36)40(52)34(29-32(2)3)45-37(49)30-44-38(50)33(25-28-57-8)47-42(54)56-43(4,5)6/h32-36H,9-31H2,1-8H3,(H,44,50)(H,45,49)(H,46,51)(H,47,54)/t33-,34+,35+,36+/m1/s1
InChIKey YFUKBTJQVMCCOO-WISKXVKBSA-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 858.249 g/mol
Solvent CDCl3
Source File Reference UWSI23441