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4-[N-(Benzyloxy)carbonyl]-2-(trifluoromethyl)-5-methyl-3-azahexyl-1-[(N-benzyloxy)carboxamide
SpectraBase Compound ID Ln7JLqP0WOX
InChI InChI=1S/C23H27F3N2O4/c1-16(2)21(22(30)31-14-17-9-5-3-6-10-17)27-19(23(24,25)26)13-20(29)28-32-15-18-11-7-4-8-12-18/h3-12,16,19,21,27H,13-15H2,1-2H3,(H,28,29)/t19?,21-/m0/s1
InChIKey CJWUZKIIMHUABY-QWAKEFERSA-N
Mol Weight 452.47 g/mol
Molecular Formula C23H27F3N2O4
Exact Mass 452.192292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLY0jlJ0qcb
Name 4-[N-(Benzyloxy)carbonyl]-2-(trifluoromethyl)-5-methyl-3-azahexyl-1-[(N-benzyloxy)carboxamide
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Formula C23H27F3N2O4
InChI InChI=1S/C23H27F3N2O4/c1-16(2)21(22(30)31-14-17-9-5-3-6-10-17)27-19(23(24,25)26)13-20(29)28-32-15-18-11-7-4-8-12-18/h3-12,16,19,21,27H,13-15H2,1-2H3,(H,28,29)/t19?,21-/m0/s1
InChIKey CJWUZKIIMHUABY-QWAKEFERSA-N
Molecular Weight 452.474 g/mol
SMILES N(C(CC(=O)NOCc1ccccc1)C(F)(F)F)[C@](C(OCc1ccccc1)=O)(C(C)C)[H]
SPLASH splash10-014i-2009200000-f5849f887da644ee8e1a
Source of Spectrum K1-2002-435-12
Synonyms (S)-2-[1-(Benzyloxycarbamoyl-methyl)-2,2,2-trifluoro-ethylamino]-3-methyl-butyric acid benzyl ester benzyl 2-{[3-[(benzyloxy)amino]-3-oxo-1-(trifluoromethyl)propyl]amino}-3-methylbutanoate Benzyl 3-methyl-2-[N-[1,1,1-trifluoro-3-(benzylaminocarbonyl)propyl]amino]butanoate
Wiley ID 1522011