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(+)-(E,S(S),2S,3R)-5-(N-METHYL-S-PHENYLSULFONIMIDOYL)-3-ISOPROPYL-2-(2-METHYLPROPANE-2-SULFONYLAMINO)-PENT-4-ENOIC-ACID-ETHYLESTER

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(+)-(E,S(S),2S,3R)-5-(N-METHYL-S-PHENYLSULFONIMIDOYL)-3-ISOPROPYL-2-(2-METHYLPROPANE-2-SULFONYLAMINO)-PENT-4-ENOIC-ACID-ETHYLESTER
SpectraBase Compound ID KCE3nguHJRL
InChI InChI=1S/C21H34N2O5S2/c1-8-28-20(24)19(23-30(26,27)21(4,5)6)18(16(2)3)14-15-29(25,22-7)17-12-10-9-11-13-17/h9-16,18-19,23H,8H2,1-7H3/b15-14+/t18-,19+,29?/m1/s1
InChIKey DFUCLQIFNTYDQQ-GOELSMOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C21H34N2O5S2
Exact Mass 458.190915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsRsbKV6iAM
Name (+)-(E,S(S),2S,3R)-5-(N-METHYL-S-PHENYLSULFONIMIDOYL)-3-ISOPROPYL-2-(2-METHYLPROPANE-2-SULFONYLAMINO)-PENT-4-ENOIC-ACID-ETHYLESTER
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34N2O5S2
InChI InChI=1S/C21H34N2O5S2/c1-8-28-20(24)19(23-30(26,27)21(4,5)6)18(16(2)3)14-15-29(25,22-7)17-12-10-9-11-13-17/h9-16,18-19,23H,8H2,1-7H3/b15-14+/t18-,19+,29?/m1/s1
InChIKey DFUCLQIFNTYDQQ-GOELSMOYSA-N
Literature Reference Author M.SCHLEUSNER,H.J.GAIS,S.KOEP,G.RAABE
Literature Reference Citation J.AM.CHEM.SOC.,124,7789(2002)
Literature Reference DOI 10.1021/ja0201799
Molecular Weight 458.631 g/mol
Sample ID 49719
Solvent CDCl3