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MICROPEPTIN_88-N
SpectraBase Compound ID BTpsDV1GcG6
InChI InChI=1S/C54H78N8O14/c1-10-15-41(64)55-38(26-29(3)4)47(67)57-37(53(73)74)22-24-42(65)59-45-32(8)76-54(75)44(31(7)11-2)60-49(69)40(28-33-16-13-12-14-17-33)61(9)52(72)46(30(5)6)62-43(66)25-23-36(51(62)71)56-48(68)39(58-50(45)70)27-34-18-20-35(63)21-19-34/h12-14,16-21,29-32,36-40,43-46,63,66H,10-11,15,22-28H2,1-9H3,(H,55,64)(H,56,68)(H,57,67)(H,58,70)(H,59,65)(H,60,69)(H,73,74)/t31?,32-,36-,37-,38+,39-,40-,43+,44-,45-,46-/m0/s1
InChIKey PUNPCZIPNYKTCV-PVAIWZOKSA-N
Mol Weight 1063.3 g/mol
Molecular Formula C54H78N8O14
Exact Mass 1062.563749 g/mol
Enantiomer InChIKey PUNPCZIPNYKTCV-BENIDKSCSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Two New Chymotrypsin Inhibitors Isolated from the Cyanobacterium Microcystis aeruginosa NIES-88 Journal of Natural Products 2004

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