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1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-PYRIDINIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT
SpectraBase Compound ID 33Ym3UX3RHI
InChI InChI=1S/C29H32N3O3S.2C2HF3O2/c30-28(24-12-4-1-5-13-24)29(25-14-6-2-7-15-25)31-36(33,34)27-18-16-26(17-19-27)35-23-11-10-22-32-20-8-3-9-21-32;2*3-2(4,5)1(6)7/h1-9,12-21,28-29,31H,10-11,22-23,30H2;2*(H,6,7)/q+1;;/p-1/t28-,29-;;/m0../s1
InChIKey WYIZBKFMACNLRY-GDUXWEAWSA-M
Mol Weight 729.691 g/mol
Molecular Formula C33H33F6N3O7S
Exact Mass 729.194341 g/mol
Parent InChIKey ZTHCLMVUBYZPED-VMPREFPWSA-M
Enantiomer InChIKey WYIZBKFMACNLRY-HXFSWNFUSA-M
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