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(4A-S*,5-R*)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-3-OXOPERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID INbOC2XUj9H
InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-30(39)34-26(16-22-18-32-24-13-8-7-12-23(22)24)29(38)33-25-14-9-15-35-20-36(28(37)17-27(25)35)19-21-10-5-4-6-11-21/h4-8,10-13,18,25-27,32H,9,14-17,19-20H2,1-3H3,(H,33,38)(H,34,39)/t25-,26+,27+/m1/s1
InChIKey HZERTLNBHOHXEE-PVHODMMVSA-N
Mol Weight 545.7 g/mol
Molecular Formula C31H39N5O4
Exact Mass 545.300205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ger2CrrwB8S
Name (4A-S*,5-R*)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-3-OXOPERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39N5O4
InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-30(39)34-26(16-22-18-32-24-13-8-7-12-23(22)24)29(38)33-25-14-9-15-35-20-36(28(37)17-27(25)35)19-21-10-5-4-6-11-21/h4-8,10-13,18,25-27,32H,9,14-17,19-20H2,1-3H3,(H,33,38)(H,34,39)/t25-,26+,27+/m1/s1
InChIKey HZERTLNBHOHXEE-PVHODMMVSA-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 545.682 g/mol
Sample ID 45191
Solvent CDCl3