Chem
J-GLOBAL ID：200907058320869739   Nikkaji number：J2.325.450F

CRA-23

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]-6-アミノヘキサノイル]-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： C32H31F2N5O4
Molecular formula furigana： C32-H31-F2-N5-O4
Molecular weight： 587.628
InChI： InChI=1S/C32H31F2N5O4/c33-25-13-12-23(18-26(25)34)32(42)37-27(7-3-4-14-35)29(40)30-38-28(43-39-30)15-19-8-10-20(11-9-19)31(41)36-24-16-21-5-1-2-6-22(21)17-24/h1-2,5-6,8-13,18,24,27H,3-4,7,14-17,35H2,(H,36,41)(H,37,42)/t27-/m0/s1
InChI key： NHTZJTUDHOZKRD-MHZLTWQESA-N
SMILES： NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)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]-6-アミノヘキサノイル]-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)-6-アミノ-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-オキソヘキサン-2-イル]-3,4-ジフルオロベンズアミド
  • N-[(2S)-6-amino-1-[5-({4-[(2,3-dihydro-1H-inden-2-yl)carbamoyl]phenyl}methyl)-1,2,4-oxadiazol-3-yl]-1-oxohexan-2-yl]-3,4-difluorobenzamide
Other name (2)：
  • N-(Indan-2-yl)-4-[[3-[(S)-2-[(3,4-difluorobenzoyl)amino]-6-aminohexanoyl]-1,2,4-oxadiazole-5-yl]methyl]benzamide
  • CRA-23
Thsaurus map：
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