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N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-TERT.-BUTYLTHIO-L-CYSTEINE
SpectraBase Compound ID 2jCJHjV8Ly0
InChI InChI=1S/2C19H29N3O6S2/c2*1-19(2,3)30-29-12-13(18(27)28)21-15(24)11-20-14(23)7-5-4-6-10-22-16(25)8-9-17(22)26/h2*8-9,13H,4-7,10-12H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t2*13-/m11/s1
InChIKey RXGQSZBECYETDD-DKAPBGRZSA-N
Mol Weight 919.15 g/mol
Molecular Formula C38H58N6O12S4
Exact Mass 918.299556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwAOrgdW031
Name N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-TERT.-BUTYLTHIO-L-CYSTEINE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H58N6O12S4
InChI InChI=1S/2C19H29N3O6S2/c2*1-19(2,3)30-29-12-13(18(27)28)21-15(24)11-20-14(23)7-5-4-6-10-22-16(25)8-9-17(22)26/h2*8-9,13H,4-7,10-12H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t2*13-/m11/s1
InChIKey RXGQSZBECYETDD-DKAPBGRZSA-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 919.152 g/mol
Solvent CDCl3:CD3OD=5:1
Source File Reference UWSI23437