John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LwLeztw3dqm

(accessed ).
XENTRIVALPEPTIDE_A
SpectraBase Compound ID LwLeztw3dqm
InChI InChI=1S/C46H65N7O9/c1-25(2)35(48-34(54)24-31-19-14-11-15-20-31)41(56)52-39-29(9)62-46(61)38(28(7)8)51-43(58)37(27(5)6)50-42(57)36(26(3)4)49-40(55)33-21-16-22-53(33)45(60)32(47-44(39)59)23-30-17-12-10-13-18-30/h10-15,17-20,25-29,32-33,35-39H,16,21-24H2,1-9H3,(H,47,59)(H,48,54)(H,49,55)(H,50,57)(H,51,58)(H,52,56)/t29-,32-,33+,35+,36+,37+,38+,39+/m1/s1
InChIKey NPXHCDVDSCUWFX-WAIWDIJASA-N
Mol Weight 860.1 g/mol
Molecular Formula C46H65N7O9
Exact Mass 859.484377 g/mol
Enantiomer InChIKey NPXHCDVDSCUWFX-NFTUTMOCSA-N
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