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O-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-N-(TERT.-BUTOXYCARBONYL)-TYROSINE-METHYLESTER
SpectraBase Compound ID DF8i8w97K7J
InChI InChI=1S/2C17H25N2O5PS/c2*1-17(2,3)19-15(16(20)22-4)14-8-6-13(7-9-14)12-24-25(21,26)23-11-5-10-18/h2*6-9,15,19H,5,11-12H2,1-4H3,(H,21,26)/p-2
InChIKey UIVMUIXRSALODB-UHFFFAOYSA-L
Mol Weight 798.84 g/mol
Molecular Formula C34H48N4O10P2S2
Exact Mass 798.22871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkBz75py1Us
Name O-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-N-(TERT.-BUTOXYCARBONYL)-TYROSINE-METHYLESTER
Compound Number 4L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H48N4O10P2S2
InChI InChI=1S/2C17H25N2O5PS/c2*1-17(2,3)19-15(16(20)22-4)14-8-6-13(7-9-14)12-24-25(21,26)23-11-5-10-18/h2*6-9,15,19H,5,11-12H2,1-4H3,(H,21,26)/p-2
InChIKey UIVMUIXRSALODB-UHFFFAOYSA-L
Literature Reference Author J.BARANIAK,R.KACZMAREK,D.KORCZYNSKI,E.WASILEWSKA
Literature Reference Citation J.ORG.CHEM.,67,7267(2002)
Literature Reference DOI 10.1021/jo026027d
Molecular Weight 798.843 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI22241