Chem
J-GLOBAL ID：200907040579189365
Nikkaji number：J1.284.913C
(αS)-α-[(3S)-3-(1H-Imidazole-4-ylmethyl)-2-oxo-4-(tert-butoxycarbonylaminoacetyl)piperazino]-4-hydroxybenzenepropanamide
(αS)-α-[(3S)-3-(1H-イミダゾール-4-イルメチル)-2-オキソ-4-(tert-ブトキシカルボニルアミノアセチル)ピペラジノ]-4-ヒドロキシベンゼンプロパンアミド
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： C24H32N6O6
Molecular formula furigana： C24-H32-N6-O6
Molecular weight： 500.556
InChI：
InChI=1S/C24H32N6O6/c1-24(2,3)36-23(35)27-13-20(32)29-8-9-30(22(34)19(29)11-16-12-26-14-28-16)18(21(25)33)10-15-4-6-17(31)7-5-15/h4-7,12,14,18-19,31H,8-11,13H2,1-3H3,(H2,25,33)(H,26,28)(H,27,35)/t18-,19-/m0/s1
InChI key：
GHVWZLZBGVPWIT-OALUTQOASA-N
SMILES：
CC(C)(C)OC(=O)NCC(=O)N1CCN([C@@H](Cc2ccc(O)cc2)C(=O)N)C(=O)[C@@H]1Cc1c[nH]cn1
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-(tert-ブトキシカルボニルアミノアセチル)ピペラジノ]-4-ヒドロキシベンゼンプロパンアミド
- tert-ブチル N-{2-[(2S)-4-[(1S)-1-カルバモイル-2-(4-ヒドロキシフェニル)エチル]-2-[(1H-イミダゾール-4-イル)メチル]-3-オキソピペラジン-1-イル]-2-オキソエチル}カルバマート
- tert-butyl N-{2-[(2S)-4-[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]-2-[(1H-imidazol-4-yl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl}carbamate
- (αS)-α-[(3S)-3-(1H-Imidazole-4-ylmethyl)-2-oxo-4-(tert-butoxycarbonylaminoacetyl)piperazino]-4-hydroxybenzenepropanamide
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