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(R,R)/(S,S)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-1,3-DIOXO-PERHYDROPYRROLO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID D1vvJD0lkyA
InChI InChI=1S/2C30H37N5O5/c2*1-30(2,3)40-28(38)33-24(15-20-17-31-22-12-8-7-11-21(20)22)27(37)32-23-13-14-34-25(23)16-26(36)35(29(34)39)18-19-9-5-4-6-10-19/h2*4-12,20,23-25,31H,13-18H2,1-3H3,(H,32,37)(H,33,38)/t20?,23-,24+,25-;20?,23-,24-,25-/m10/s1
InChIKey MXJVHWKXVKBUNP-IQRIOCLCSA-N
Mol Weight 1095.3 g/mol
Molecular Formula C60H74N10O10
Exact Mass 1094.558939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AeVWMFT1AA
Name (S,S)/(R,R)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-1,3-DIOXO-PERHYDROPYRROLO-[1,2-C]-PYRIMIDINE
Compound Number 23D/24D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H74N10O10
InChI InChI=1S/2C30H37N5O5/c2*1-30(2,3)40-28(38)33-24(15-20-17-31-22-12-8-7-11-21(20)22)27(37)32-23-13-14-34-25(23)16-26(36)35(29(34)39)18-19-9-5-4-6-10-19/h2*4-12,20,23-25,31H,13-18H2,1-3H3,(H,32,37)(H,33,38)/t20?,23-,24+,25-;20?,23-,24-,25-/m10/s1
InChIKey MXJVHWKXVKBUNP-IQRIOCLCSA-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 1095.309 g/mol
Sample ID 45205
Solvent CDCl3