Chem
J-GLOBAL ID:200907017624324749   Nikkaji number:J1.718.120C

(2S,4S)-1-[(2S,3S)-2-Hydroxy-3-(2,5-dimethyl-3-hydroxybenzoylamino)-4-[3-(trifluoromethyl)phenyl]butyryl]-4-chloro-N-tert-butylpyrrolidine-2-carboxamide

(2S,4S)-1-[(2S,3S)-2-ヒドロキシ-3-(2,5-ジメチル-3-ヒドロキシベンゾイルアミノ)-4-[3-(トリフルオロメチル)フェニル]ブチリル]-4-クロロ-N-tert-ブチルピロリジン-2-カルボアミド
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: C29H35ClF3N3O5
Molecular formula furigana: C29-H35-CL-F3-N3-O5
Molecular weight: 598.060
InChI: InChI=1S/C29H35ClF3N3O5/c1-15-9-20(16(2)23(37)10-15)25(39)34-21(12-17-7-6-8-18(11-17)29(31,32)33)24(38)27(41)36-14-19(30)13-22(36)26(40)35-28(3,4)5/h6-11,19,21-22,24,37-38H,12-14H2,1-5H3,(H,34,39)(H,35,40)/t19-,21-,22-,24-/m0/s1
InChI key: SXBDTHXGHALFNX-CHLMOITFSA-N
SMILES: Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C
Systematic name  (3):
  • (2S,4S)-1-[(2S,3S)-2-ヒドロキシ-3-(2,5-ジメチル-3-ヒドロキシベンゾイルアミノ)-4-[3-(トリフルオロメチル)フェニル]ブチリル]-4-クロロ-N-tert-ブチルピロリジン-2-カルボアミド
  • (2S,4S)-N-tert-ブチル-4-クロロ-1-[(2S,3S)-2-ヒドロキシ-3-[(3-ヒドロキシ-2,5-ジメチルフェニル)ホルムアミド]-4-[3-(トリフルオロメチル)フェニル]ブタノイル]ピロリジン-2-カルボキサミド
  • (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2,5-dimethylphenyl)formamido]-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxamide
Other name (1):
  • (2S,4S)-1-[(2S,3S)-2-Hydroxy-3-(2,5-dimethyl-3-hydroxybenzoylamino)-4-[3-(trifluoromethyl)phenyl]butyryl]-4-chloro-N-tert-butylpyrrolidine-2-carboxamide
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