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BETA-PENTAFLUOROPHENYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPAR
SpectraBase Compound ID 4yahOkP1RAr
InChI InChI=1S/C37H44F5N5O12/c1-37(2,3)59-36(55)46-21(16-19-10-8-7-9-11-19)33(52)43-15-14-23(48)44-20(34(53)56-5)12-13-25(50)47(4)18-24(49)45-22(35(54)57-6)17-26(51)58-32-30(41)28(39)27(38)29(40)31(32)42/h7-11,20-22H,12-18H2,1-6H3,(H,43,52)(H,44,48)(H,45,49)(H,46,55)/t20-,21+,22+/m1/s1
InChIKey KFHKKKKPZLCTCP-FSSWDIPSSA-N
Mol Weight 845.8 g/mol
Molecular Formula C37H44F5N5O12
Exact Mass 845.290663 g/mol
Enantiomer InChIKey KFHKKKKPZLCTCP-BHDDXSALSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Design and preparation of serine–threonine protein phosphatase inhibitors based upon the nodularin and microcystin toxin structures: Part 1. Evaluation of key inhibitory features and synthesis of a rationally stripped-down nodularin macrocycle Journal of the Chemical Society, Perkin Transactions 1 1997
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