Chem
J-GLOBAL ID：200907080621035022   Nikkaji number：J1.184.012D

1-[[(α-Methylbenzyl)carbamoyl]methyl]-2α-(4-methoxyphenyl)-4α-(1,3-benzodioxole-5-yl)pyrrolidine-3β-carboxylic acid

1-[[(α-メチルベンジル)カルバモイル]メチル]-2α-(4-メトキシフェニル)-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
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： C29H30N2O6
Molecular formula furigana： C29-H30-N2-O6
Molecular weight： 502.567
InChI： InChI=1S/C29H30N2O6/c1-18(19-6-4-3-5-7-19)30-26(32)16-31-15-23(21-10-13-24-25(14-21)37-17-36-24)27(29(33)34)28(31)20-8-11-22(35-2)12-9-20/h3-14,18,23,27-28H,15-17H2,1-2H3,(H,30,32)(H,33,34)/t18?,23-,27-,28+/m0/s1
InChI key： KANHASGBLWIAIA-GWEIKMQESA-N
SMILES： COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)NC(C)c1ccccc1)c1ccc2OCOc2c1)C(=O)O
Systematic name  (3)：
  • 1-[[(α-メチルベンジル)カルバモイル]メチル]-2α-(4-メトキシフェニル)-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)-2-(4-メトキシフェニル)-1-{[(1-フェニルエチル)カルバモイル]メチル}ピロリジン-3-カルボン酸
  • (2S,3S,4R)-4-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-{[(1-phenylethyl)carbamoyl]methyl}pyrrolidine-3-carboxylic acid
Other name (1)：
  • 1-[[(α-Methylbenzyl)carbamoyl]methyl]-2α-(4-methoxyphenyl)-4α-(1,3-benzodioxole-5-yl)pyrrolidine-3β-carboxylic acid
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