Chem
J-GLOBAL ID：200907098187298377   Nikkaji number：J1.961.660F

N-[(1S)-1-(Trifluoromethyl)-2-nitroethyl]-L-valine tert-butyl ester

N-[(1S)-1-(トリフルオロメチル)-2-ニトロエチル]-L-バリンtert-ブチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H21F3N[N+]O3[O-]
Molecular formula furigana： C12-H21-F3-N2-O4
Molecular weight： 314.305
InChI： InChI=1S/C12H21F3N2O4/c1-7(2)9(10(18)21-11(3,4)5)16-8(6-17(19)20)12(13,14)15/h7-9,16H,6H2,1-5H3/t8-,9-/m0/s1
InChI key： FVYVBEILJRDENW-IUCAKERBSA-N
SMILES： CC(C)[C@H](N[C@@H](C[N+](=O)[O-])C(F)(F)F)C(=O)OC(C)(C)C
Systematic name  (3)：
  • N-[(1S)-1-(トリフルオロメチル)-2-ニトロエチル]-L-バリンtert-ブチル
  • tert-ブチル (2S)-3-メチル-2-{[(2S)-1,1,1-トリフルオロ-3-ニトロプロパン-2-イル]アミノ}ブタノアート
  • tert-butyl (2S)-3-methyl-2-{[(2S)-1,1,1-trifluoro-3-nitropropan-2-yl]amino}butanoate
Other name (1)：
  • N-[(1S)-1-(Trifluoromethyl)-2-nitroethyl]-L-valine tert-butyl ester
Thsaurus map：
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