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PATELLAMIDE_C
SpectraBase Compound ID CPLUeyQaaac
InChI InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18?,19-,20?,21-,23-,26+,27?,28+,29+/m1/s1
InChIKey CFXBLGFMQUFLKS-PTAJLYNKSA-N
Mol Weight 762.9 g/mol
Molecular Formula C37H46N8O6S2
Exact Mass 762.298174 g/mol
Enantiomer InChIKey CFXBLGFMQUFLKS-OSWYBEEYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Solution Conformations of Patellamides B and C, Cytotoxic Cyclic Hexapeptides from Marine Tunicate, Determined by NMR Spectroscopy and Molecular Dynamics The Journal of Organic Chemistry 1995

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