For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(4A-S*,5-R*)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-3-OXO-1-THIOXOPERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
SpectraBase Compound ID D4FLmzkueXw
InChI InChI=1S/C31H37N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+/m1/s1
InChIKey XCJKSJQOSBEHKV-ZNZIZOMTSA-N
Mol Weight 575.7 g/mol
Molecular Formula C31H37N5O4S
Exact Mass 575.256626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8IChDP8O9FA
Name (4A-S*,5-R*)-2-BENZYL-5-[N-(TERT.-BUTOXYCARBONYL)-L-TRYPTOPHYL]-AMINO-3-OXO-1-THIOXOPERHYDROPYRIDO-[1,2-C]-PYRIMIDINE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H37N5O4S
InChI InChI=1S/C31H37N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+/m1/s1
InChIKey XCJKSJQOSBEHKV-ZNZIZOMTSA-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 575.726 g/mol
Sample ID 45189
Solvent CDCl3