Chem
J-GLOBAL ID：200907020088843445   Nikkaji number：J2.294.910A

TIPP-401

(S)-2-[3-[[2-フルオロ-4-(トリフルオロメチル)ベンゾイル]アミノメチル]-4-メトキシベンジル]酪酸
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： C21H21F4NO4
Molecular formula furigana： C21-H21-F4-N-O4
Molecular weight： 427.396
InChI： InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
InChI key： BDLLIPYDNFENMY-ZDUSSCGKSA-N
SMILES： CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(=O)O
Systematic name  (4)：
  • (S)-2-[3-[[2-フルオロ-4-(トリフルオロメチル)ベンゾイル]アミノメチル]-4-メトキシベンジル]酪酸
  • (2S)-2-[3-[[2-フルオロ-4-(トリフルオロメチル)ベンゾイルアミノ]メチル]-4-メトキシベンジル]ブタン酸
  • (2S)-2-{[3-({[2-フルオロ-4-(トリフルオロメチル)フェニル]ホルムアミド}メチル)-4-メトキシフェニル]メチル}ブタン酸
  • (2S)-2-{[3-({[2-fluoro-4-(trifluoromethyl)phenyl]formamido}methyl)-4-methoxyphenyl]methyl}butanoic acid
Other name (3)：
  • (S)-2-[3-[[2-Fluoro-4-(trifluoromethyl)benzoyl]aminomethyl]-4-methoxybenzyl]butyric acid
  • (2S)-2-[3-[[2-Fluoro-4-(trifluoromethyl)benzoylamino]methyl]-4-methoxybenzyl]butanoic acid
  • TIPP-401
Thsaurus map：
Thesaurus Map

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