Chem
J-GLOBAL ID:200907078449847503   Nikkaji number:J1.184.011F

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

1-[[(α-メチルベンジル)カルバモイル]メチル]-2β-(4-メトキシフェニル)-4β-(1,3-ベンゾジオキソール-5-イル)ピロリジン-3α-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+/m1/s1
InChI key: KANHASGBLWIAIA-BXAOXKJXSA-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]-2β-(4-メトキシフェニル)-4β-(1,3-ベンゾジオキソール-5-イル)ピロリジン-3α-カルボン酸
  • (2R,3R,4S)-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
  • (2R,3R,4S)-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]-2β-(4-methoxyphenyl)-4β-(1,3-benzodioxole-5-yl)pyrrolidine-3α-carboxylic acid
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