Chem
J-GLOBAL ID：200907071999397039   Nikkaji number：J924.089F

A-192621

A-192621
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： C33H38N2O6
Molecular formula furigana： C33-H38-N2-O6
Molecular weight： 558.675
InChI： InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m0/s1
InChI key： LQEHCKYYIXQEBM-WXALXNGTSA-N
SMILES： CCCOc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(=O)O
Systematic name  (4)：
  • (2S)-1-[2-[(2,6-ジエチルフェニル)アミノ]-2-オキソエチル]-2α-(4-プロポキシフェニル)-4α-(1,3-ベンゾジオキソール-5-イル)-3β-ピロリジンカルボン酸
  • 1-[[(2,6-ジエチルフェニル)カルバモイル]メチル]-2α-(4-プロポキシフェニル)-4α-(1,3-ベンゾジオキソール-5-イル)ピロリジン-3β-カルボン酸
  • (2S,3S,4R)-4-(2H-1,3-ベンゾジオキソール-5-イル)-1-{[(2,6-ジエチルフェニル)カルバモイル]メチル}-2-(4-プロポキシフェニル)ピロリジン-3-カルボン酸
  • (2S,3S,4R)-4-(2H-1,3-benzodioxol-5-yl)-1-{[(2,6-diethylphenyl)carbamoyl]methyl}-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
Other name (3)：
  • A-192621
  • (2S)-1-[2-[(2,6-Diethylphenyl)amino]-2-oxoethyl]-2α-(4-propoxyphenyl)-4α-(1,3-benzodioxol-5-yl)-3β-pyrrolidinecarboxylic acid
  • 1-[[(2,6-Diethylphenyl)carbamoyl]methyl]-2α-(4-propoxyphenyl)-4α-(1,3-benzodioxole-5-yl)pyrrolidine-3β-carboxylic acid
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