Chem
J-GLOBAL ID:200907048389093710   Nikkaji number:J1.375.572H

N-[(S)-1-(Trifluoromethyl)-3-oxo-3-[[(S)-1-methyl-2-oxo-2-methoxyethyl]amino]propyl]-L-valine benzyl ester

N-[(S)-1-(トリフルオロメチル)-3-オキソ-3-[[(S)-1-メチル-2-オキソ-2-メトキシエチル]アミノ]プロピル]-L-バリンベンジル
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: C20H27F3N2O5
Molecular formula furigana: C20-H27-F3-N2-O5
Molecular weight: 432.440
InChI: InChI=1S/C20H27F3N2O5/c1-12(2)17(19(28)30-11-14-8-6-5-7-9-14)25-15(20(21,22)23)10-16(26)24-13(3)18(27)29-4/h5-9,12-13,15,17,25H,10-11H2,1-4H3,(H,24,26)/t13-,15-,17-/m0/s1
InChI key: UPUVZDIHWODPPT-QRTARXTBSA-N
SMILES: COC(=O)[C@H](C)NC(=O)C[C@H](N[C@@H](C(C)C)C(=O)OCc1ccccc1)C(F)(F)F
Systematic name  (3):
  • N-[(S)-1-(トリフルオロメチル)-3-オキソ-3-[[(S)-1-メチル-2-オキソ-2-メトキシエチル]アミノ]プロピル]-L-バリンベンジル
  • ベンジル (2S)-3-メチル-2-{[(2S)-1,1,1-トリフルオロ-3-{[(2S)-1-メトキシ-1-オキソプロパン-2-イル]カルバモイル}プロパン-2-イル]アミノ}ブタノアート
  • benzyl (2S)-3-methyl-2-{[(2S)-1,1,1-trifluoro-3-{[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl}propan-2-yl]amino}butanoate
Other name (1):
  • N-[(S)-1-(Trifluoromethyl)-3-oxo-3-[[(S)-1-methyl-2-oxo-2-methoxyethyl]amino]propyl]-L-valine benzyl ester
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