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(4A-R*,5-S*)-2-BENZYL-5-(TERT.-BUTOXYCARBONYL)-AMINO-1,3-DITHIOXOPERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID A9TsA13DfBy
InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)25-18(24)21-15-10-7-11-22-16(15)12-17(26)23(19(22)27)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,21,24)/t15-,16+/m0/s1
InChIKey BBHNQBXKEFWSKJ-JKSUJKDBSA-N
Mol Weight 405.58 g/mol
Molecular Formula C20H27N3O2S2
Exact Mass 405.154469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GC0pqC8cREP
Name (4A-R*,5-S*)-2-BENZYL-5-(TERT.-BUTOXYCARBONYL)-AMINO-1,3-DITHIOXOPERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27N3O2S2
InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)25-18(24)21-15-10-7-11-22-16(15)12-17(26)23(19(22)27)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,21,24)/t15-,16+/m0/s1
InChIKey BBHNQBXKEFWSKJ-JKSUJKDBSA-N
Literature Reference Author J.M.BARTOLOME-NEBREDA,M.T.GARCIA-LOPEZ,R.GONZALES-MUNIZ,E.CE NARRUZABEITIA,M.LATO
Literature Reference Citation J.MED.CHEM.,44,4196(2001)
Literature Reference DOI 10.1021/jm010898i
Molecular Weight 405.573 g/mol
Sample ID 45187
Solvent CDCl3