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Methyl 8-(Benzyloxycarbonyl)-8-isopropyl-6-(trifluoromethyl)-4-oxo-3.7-diazaoctan-2-carboxylate
SpectraBase Compound ID 2e6N9sFSngN
InChI InChI=1S/C21H29F3N2O5/c1-13(2)10-16(20(29)31-12-15-8-6-5-7-9-15)26-17(21(22,23)24)11-18(27)25-14(3)19(28)30-4/h5-9,13-14,16-17,26H,10-12H2,1-4H3,(H,25,27)/t14?,16-,17-/m0/s1
InChIKey RYLVYAGZRHSAMT-HGVHAKBWSA-N
Mol Weight 446.47 g/mol
Molecular Formula C21H29F3N2O5
Exact Mass 446.202857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tAOet6YoUQ
Name Methyl 8-(Benzyloxycarbonyl)-8-isopropyl-6-(trifluoromethyl)-4-oxo-3.7-diazaoctan-2-carboxylate
Alternate Name(s) (S)-4-Methyl-2-{(S)-2,2,2-trifluoro-1-[(1-methoxycarbonyl-ethylcarbamoyl)-methyl]-ethylamino}-pentanoic acid benzyl ester Methyl 8-(benzyloxycarbonyl)-8-isobutyl-6-(trifluoromehtyl)-2-methyl-4-oxo-3,7-diazaoctanoate Methyl 8-(Benzyloxycarbonyl)-8-isobutyl-6-(trifluoromethyl)-4-oxo-3.7-diazaoctan-2-carboxylate Methyl 8-(benzyloxycarbonyl)-8-isopropyl-6-(trifluoromehtyl)-2-methyl-4-oxo-3,7-diazaoctanoate
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Formula C21H29F3N2O5
InChI InChI=1S/C21H29F3N2O5/c1-13(2)10-16(20(29)31-12-15-8-6-5-7-9-15)26-17(21(22,23)24)11-18(27)25-14(3)19(28)30-4/h5-9,13-14,16-17,26H,10-12H2,1-4H3,(H,25,27)/t14?,16-,17-/m0/s1
InChIKey RYLVYAGZRHSAMT-HGVHAKBWSA-N
Molecular Weight 446.467 g/mol
SMILES N(C(C[C@@](C(F)(F)F)(N[C@](C(OCc1ccccc1)=O)(CC(C)C)[H])[H])=O)C(C(=O)OC)C
SPLASH splash10-01ox-9228000000-4f0b93cf5863c288b005
Source of Spectrum OL-2-1830-7
Wiley ID 1547467