Chem
J-GLOBAL ID：200907082548165411   Nikkaji number：J2.325.449B

CRA-25

N-(インダン-2-イル)-4-[[3-[(S)-2-[(3,4-ジフルオロベンゾイル)アミノ]-4-(ピロリジン-3-イル)ブタノイル]-1,2,4-オキサジアゾール-5-イル]メチル]ベンズアミド
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： C34H33F2N5O4
Molecular formula furigana： C34-H33-F2-N5-O4
Molecular weight： 613.666
InChI： InChI=1S/C34H33F2N5O4/c35-27-11-10-25(18-28(27)36)34(44)39-29(12-7-21-13-14-37-19-21)31(42)32-40-30(45-41-32)15-20-5-8-22(9-6-20)33(43)38-26-16-23-3-1-2-4-24(23)17-26/h1-6,8-11,18,21,26,29,37H,7,12-17,19H2,(H,38,43)(H,39,44)/t21?,29-/m0/s1
InChI key： XUHAYKXSOPXWJB-TXMUIZFDSA-N
SMILES： Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Systematic name  (3)：
  • N-(インダン-2-イル)-4-[[3-[(S)-2-[(3,4-ジフルオロベンゾイル)アミノ]-4-(ピロリジン-3-イル)ブタノイル]-1,2,4-オキサジアゾール-5-イル]メチル]ベンズアミド
  • N-[(2S)-1-[5-({4-[(2,3-ジヒドロ-1H-インデン-2-イル)カルバモイル]フェニル}メチル)-1,2,4-オキサジアゾール-3-イル]-1-オキソ-4-(ピロリジン-3-イル)ブタン-2-イル]-3,4-ジフルオロベンズアミド
  • N-[(2S)-1-[5-({4-[(2,3-dihydro-1H-inden-2-yl)carbamoyl]phenyl}methyl)-1,2,4-oxadiazol-3-yl]-1-oxo-4-(pyrrolidin-3-yl)butan-2-yl]-3,4-difluorobenzamide
Other name (2)：
  • N-(Indan-2-yl)-4-[[3-[(S)-2-[(3,4-difluorobenzoyl)amino]-4-(pyrrolidine-3-yl)butanoyl]-1,2,4-oxadiazole-5-yl]methyl]benzamide
  • CRA-25
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