Chem
J-GLOBAL ID：200907037816429979
Nikkaji number：J612.744D
(αS,α′S)-α,α′-[(1,2-Dioxo-1,2-ethanediyl)bisimino]bis(4-fluorobenzenepropionic acid isobutyl) ester
(αS,α′S)-α,α′-[(1,2-ジオキソ-1,2-エタンジイル)ビスイミノ]ビス(4-フルオロベンゼンプロピオン酸イソブチル)
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
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
Molecular formula： C28H34F2N2O6
Molecular formula furigana： C28-H34-F2-N2-O6
Molecular weight： 532.585
InChI：
InChI=1S/C28H34F2N2O6/c1-17(2)15-37-27(35)23(13-19-5-9-21(29)10-6-19)31-25(33)26(34)32-24(28(36)38-16-18(3)4)14-20-7-11-22(30)12-8-20/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,31,33)(H,32,34)/t23-,24-/m0/s1
InChI key：
GECYNXNAEUVMFT-ZEQRLZLVSA-N
SMILES：
CC(C)COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)OCC(C)C
Systematic name (3)：
- (αS,α′S)-α,α′-[(1,2-ジオキソ-1,2-エタンジイル)ビスイミノ]ビス(4-フルオロベンゼンプロピオン酸イソブチル)
- 2-メチルプロピル (2S)-3-(4-フルオロフェニル)-2-({[(2S)-3-(4-フルオロフェニル)-1-(2-メチルプロポキシ)-1-オキソプロパン-2-イル]カルバモイル}ホルムアミド)プロパノアート
- 2-methylpropyl (2S)-3-(4-fluorophenyl)-2-({[(2S)-3-(4-fluorophenyl)-1-(2-methylpropoxy)-1-oxopropan-2-yl]carbamoyl}formamido)propanoate
- (αS,α′S)-α,α′-[(1,2-Dioxo-1,2-ethanediyl)bisimino]bis(4-fluorobenzenepropionic acid isobutyl) ester
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