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(4A-S*,5-R*)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-PERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID JnlBv7D16et
InChI InChI=1S/C31H41N5O3/c1-31(2,3)39-30(38)34-27(18-23-19-32-25-13-8-7-12-24(23)25)29(37)33-26-14-9-16-36-21-35(17-15-28(26)36)20-22-10-5-4-6-11-22/h4-8,10-13,19,26-28,32H,9,14-18,20-21H2,1-3H3,(H,33,37)(H,34,38)/t26-,27+,28+/m1/s1
InChIKey CNIFEKSWYJQXLP-PKTNWEFCSA-N
Mol Weight 531.7 g/mol
Molecular Formula C31H41N5O3
Exact Mass 531.32094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DGtSgIeluC
Name (4A-S*,5-R*)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-PERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H41N5O3
InChI InChI=1S/C31H41N5O3/c1-31(2,3)39-30(38)34-27(18-23-19-32-25-13-8-7-12-24(23)25)29(37)33-26-14-9-16-36-21-35(17-15-28(26)36)20-22-10-5-4-6-11-22/h4-8,10-13,19,26-28,32H,9,14-18,20-21H2,1-3H3,(H,33,37)(H,34,38)/t26-,27+,28+/m1/s1
InChIKey CNIFEKSWYJQXLP-PKTNWEFCSA-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 531.698 g/mol
Sample ID 45195
Solvent CDCl3