Chem
J-GLOBAL ID：201507099921103380   Nikkaji number：J3.340.158B

N-[2-Chloro-5-[1-[(3R)-3-amino-4-(4-chlorophenyl)butyryl]-4β-(hydroxymethyl)pyrrolidine-3α-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[2-クロロ-5-[1-[(3R)-3-アミノ-4-(4-クロロフェニル)ブチリル]-4β-(ヒドロキシメチル)ピロリジン-3α-イル]フェニル]-2-(4-フルオロフェニル)アセトアミド
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： C29H30Cl2FN3O3
Molecular formula furigana： C29-H30-CL2-F-N3-O3
Molecular weight： 558.480
InChI： InChI=1S/C29H30Cl2FN3O3/c30-22-6-1-18(2-7-22)11-24(33)14-29(38)35-15-21(17-36)25(16-35)20-5-10-26(31)27(13-20)34-28(37)12-19-3-8-23(32)9-4-19/h1-10,13,21,24-25,36H,11-12,14-17,33H2,(H,34,37)/t21-,24-,25-/m1/s1
InChI key： UXESSWKATFQQDS-NQHRYMMQSA-N
SMILES： N[C@@H](CC(=O)N1C[C@H](CO)[C@H](C1)c1ccc(Cl)c(NC(=O)Cc2ccc(F)cc2)c1)Cc1ccc(Cl)cc1
Systematic name  (3)：
  • N-[2-クロロ-5-[1-[(3R)-3-アミノ-4-(4-クロロフェニル)ブチリル]-4β-(ヒドロキシメチル)ピロリジン-3α-イル]フェニル]-2-(4-フルオロフェニル)アセトアミド
  • N-{5-[(3S,4R)-1-[(3R)-3-アミノ-4-(4-クロロフェニル)ブタノイル]-4-(ヒドロキシメチル)ピロリジン-3-イル]-2-クロロフェニル}-2-(4-フルオロフェニル)アセトアミド
  • N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide
Other name (1)：
  • N-[2-Chloro-5-[1-[(3R)-3-amino-4-(4-chlorophenyl)butyryl]-4β-(hydroxymethyl)pyrrolidine-3α-yl]phenyl]-2-(4-fluorophenyl)acetamide
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