Chem
J-GLOBAL ID:200907005743957689   Nikkaji number:J1.749.943B

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

(2R,3R)-2-(tert-ブチルチオ)-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: C19H28F3NO3S
Molecular formula furigana: C19-H28-F3-N-O3-S
Molecular weight: 407.490
InChI: InChI=1S/C19H28F3NO3S/c1-17(2,3)26-16(24)14(27-18(4,5)6)15(19(20,21)22)23-12-8-10-13(25-7)11-9-12/h8-11,14-15,23H,1-7H3/t14-,15+/m1/s1
InChI key: BINLONANRBCAOM-CABCVRRESA-N
SMILES: COc1ccc(N[C@@H]([C@@H](SC(C)(C)C)C(=O)OC(C)(C)C)C(F)(F)F)cc1
Systematic name  (3):
  • (2R,3R)-2-(tert-ブチルチオ)-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,3R)-2-(tert-ブチルスルファニル)-4,4,4-トリフルオロ-3-[(4-メトキシフェニル)アミノ]ブタノアート
  • tert-butyl (2R,3R)-2-(tert-butylsulfanyl)-4,4,4-trifluoro-3-[(4-methoxyphenyl)amino]butanoate
Other name (1):
  • (2R,3R)-2-(tert-Butylthio)-3-[(4-methoxyphenyl)amino]-4,4,4-trifluorobutanoic acid tert-butyl ester
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