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(3-R,4A-S,5-R)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-3-METHOXY-1-OXO-PERHYDROPYRIDO-[1,2-C]-PYRIMIDINE

View entire compound with spectra: 1 NMR

(3-R,4A-S,5-R)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-3-METHOXY-1-OXO-PERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID KQCwSCi9KuI
InChI InChI=1S/C32H41N5O5/c1-32(2,3)42-30(39)35-26(17-22-19-33-24-14-9-8-13-23(22)24)29(38)34-25-15-10-16-36-27(25)18-28(41-4)37(31(36)40)20-21-11-6-5-7-12-21/h5-9,11-14,19,25-28,33H,10,15-18,20H2,1-4H3,(H,34,38)(H,35,39)/t25-,26+,27+,28-/m1/s1
InChIKey LRFJEKQGCQEJLY-WXIAYYLYSA-N
Mol Weight 575.7 g/mol
Molecular Formula C32H41N5O5
Exact Mass 575.310769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VmNBHeUput
Name (3-R,4A-S,5-R)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-3-METHOXY-1-OXO-PERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H41N5O5
InChI InChI=1S/C32H41N5O5/c1-32(2,3)42-30(39)35-26(17-22-19-33-24-14-9-8-13-23(22)24)29(38)34-25-15-10-16-36-27(25)18-28(41-4)37(31(36)40)20-21-11-6-5-7-12-21/h5-9,11-14,19,25-28,33H,10,15-18,20H2,1-4H3,(H,34,38)(H,35,39)/t25-,26+,27+,28-/m1/s1
InChIKey LRFJEKQGCQEJLY-WXIAYYLYSA-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 575.708 g/mol
Sample ID 45199
Solvent CDCl3