Chem
J-GLOBAL ID:200907051600436167   Nikkaji number:J701.239J

[(R)-2-(1H-Indol-3-yl)-1-[[(S)-α-methylbenzyl]carbamoyl]ethyl]carbamic acid 3,4-difluorobenzyl ester

[(R)-2-(1H-インドール-3-イル)-1-[[(S)-α-メチルベンジル]カルバモイル]エチル]カルバミド酸3,4-ジフルオロベンジル
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: C27H25F2N3O3
Molecular formula furigana: C27-H25-F2-N3-O3
Molecular weight: 477.512
InChI: InChI=1S/C27H25F2N3O3/c1-17(19-7-3-2-4-8-19)31-26(33)25(14-20-15-30-24-10-6-5-9-21(20)24)32-27(34)35-16-18-11-12-22(28)23(29)13-18/h2-13,15,17,25,30H,14,16H2,1H3,(H,31,33)(H,32,34)/t17-,25+/m0/s1
InChI key: XZXKFGGFPNLSLA-SSOJOUAXSA-N
SMILES: C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(F)c(F)c1)c1ccccc1
Systematic name  (3):
  • [(R)-2-(1H-インドール-3-イル)-1-[[(S)-α-メチルベンジル]カルバモイル]エチル]カルバミド酸3,4-ジフルオロベンジル
  • (3,4-ジフルオロフェニル)メチル N-[(1R)-2-(1H-インドール-3-イル)-1-{[(1S)-1-フェニルエチル]カルバモイル}エチル]カルバマート
  • (3,4-difluorophenyl)methyl N-[(1R)-2-(1H-indol-3-yl)-1-{[(1S)-1-phenylethyl]carbamoyl}ethyl]carbamate
Other name (1):
  • [(R)-2-(1H-Indol-3-yl)-1-[[(S)-α-methylbenzyl]carbamoyl]ethyl]carbamic acid 3,4-difluorobenzyl ester
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