Chem
J-GLOBAL ID：200907056238245120
Nikkaji number：J1.284.915J
(αS)-α-[(3S)-3-(1H-Imidazole-4-ylmethyl)-2-oxo-4-acetylpiperazino]-4-hydroxybenzenepropanoic acid ethyl ester
(αS)-α-[(3S)-3-(1H-イミダゾール-4-イルメチル)-2-オキソ-4-アセチルピペラジノ]-4-ヒドロキシベンゼンプロパン酸エチル
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： C21H26N4O5
Molecular formula furigana： C21-H26-N4-O5
Molecular weight： 414.462
InChI：
InChI=1S/C21H26N4O5/c1-3-30-21(29)19(10-15-4-6-17(27)7-5-15)25-9-8-24(14(2)26)18(20(25)28)11-16-12-22-13-23-16/h4-7,12-13,18-19,27H,3,8-11H2,1-2H3,(H,22,23)/t18-,19-/m0/s1
InChI key：
OSAQIDKOSLTXIR-OALUTQOASA-N
SMILES：
CCOC(=O)[C@H](Cc1ccc(O)cc1)N1CCN([C@@H](Cc2c[nH]cn2)C1=O)C(=O)C
Systematic name (3)：
- (αS)-α-[(3S)-3-(1H-イミダゾール-4-イルメチル)-2-オキソ-4-アセチルピペラジノ]-4-ヒドロキシベンゼンプロパン酸エチル
- エチル (2S)-2-[(3S)-4-アセチル-3-[(1H-イミダゾール-4-イル)メチル]-2-オキソピペラジン-1-イル]-3-(4-ヒドロキシフェニル)プロパノアート
- ethyl (2S)-2-[(3S)-4-acetyl-3-[(1H-imidazol-4-yl)methyl]-2-oxopiperazin-1-yl]-3-(4-hydroxyphenyl)propanoate
- (αS)-α-[(3S)-3-(1H-Imidazole-4-ylmethyl)-2-oxo-4-acetylpiperazino]-4-hydroxybenzenepropanoic acid ethyl ester
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