Chem
J-GLOBAL ID：200907057687857234   Nikkaji number：J1.749.944K

(2R,3S)-2-Mercapto-3-[(4-methoxyphenyl)amino]-4,4,4-trifluorobutanoic acid tert-butyl ester

(2R,3S)-2-メルカプト-3-[(4-メトキシフェニル)アミノ]-4,4,4-トリフルオロブタン酸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： C15H20F3NO3S
Molecular formula furigana： C15-H20-F3-N-O3-S
Molecular weight： 351.380
InChI： InChI=1S/C15H20F3NO3S/c1-14(2,3)22-13(20)11(23)12(15(16,17)18)19-9-5-7-10(21-4)8-6-9/h5-8,11-12,19,23H,1-4H3/t11-,12-/m1/s1
InChI key： MFLYUVHDEHZYGG-VXGBXAGGSA-N
SMILES： COc1ccc(N[C@H]([C@@H](S)C(=O)OC(C)(C)C)C(F)(F)F)cc1
Systematic name  (3)：
  • (2R,3S)-2-メルカプト-3-[(4-メトキシフェニル)アミノ]-4,4,4-トリフルオロブタン酸tert-ブチル
  • tert-ブチル (2R,3S)-4,4,4-トリフルオロ-3-[(4-メトキシフェニル)アミノ]-2-スルファニルブタノアート
  • tert-butyl (2R,3S)-4,4,4-trifluoro-3-[(4-methoxyphenyl)amino]-2-sulfanylbutanoate
Other name (1)：
  • (2R,3S)-2-Mercapto-3-[(4-methoxyphenyl)amino]-4,4,4-trifluorobutanoic acid tert-butyl ester
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