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(4A-S,5-R)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-1-OXO-PERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID FbamDMSSQb2
InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-29(38)34-26(18-22-19-32-24-13-8-7-12-23(22)24)28(37)33-25-14-9-16-36-27(25)15-17-35(30(36)39)20-21-10-5-4-6-11-21/h4-8,10-13,19,25-27,32H,9,14-18,20H2,1-3H3,(H,33,37)(H,34,38)/t25-,26+,27+/m1/s1
InChIKey IMWMUTIUKLDZRB-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 Liy3cLInUkQ
Name (4A-S,5-R)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-1-OXO-PERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
Compound Number 13A
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)40-29(38)34-26(18-22-19-32-24-13-8-7-12-23(22)24)28(37)33-25-14-9-16-36-27(25)15-17-35(30(36)39)20-21-10-5-4-6-11-21/h4-8,10-13,19,25-27,32H,9,14-18,20H2,1-3H3,(H,33,37)(H,34,38)/t25-,26+,27+/m1/s1
InChIKey IMWMUTIUKLDZRB-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 45198
Solvent CDCl3