Chem
J-GLOBAL ID：200907020278077382
Nikkaji number：J721.956C
(2R,5S)-4-Methyl-2-hydroxy-2-(3-hydroxybenzyl)-5-[(4-nitro-1H-indol-3-yl)methyl]piperazine-3,6-dione
(3R)-3β-ヒドロキシ-3-(3-ヒドロキシベンジル)-1-メチル-6α-(4-ニトロ-1H-インドール-3-イルメチル)-2,5-ピペラジンジオン
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： C21H20N3[N+]O5[O-]
Molecular formula furigana： C21-H20-N4-O6
Molecular weight： 424.413
InChI：
InChI=1S/C21H20N4O6/c1-24-17(9-13-11-22-15-6-3-7-16(18(13)15)25(30)31)19(27)23-21(29,20(24)28)10-12-4-2-5-14(26)8-12/h2-8,11,17,22,26,29H,9-10H2,1H3,(H,23,27)/t17-,21+/m0/s1
InChI key：
CTMDCUWGMQXPQQ-LAUBAEHRSA-N
SMILES：
CN1[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)C(=O)N[C@@](O)(Cc2cccc(O)c2)C1=O
Systematic name (4)：
- (3R)-3β-ヒドロキシ-3-(3-ヒドロキシベンジル)-1-メチル-6α-(4-ニトロ-1H-インドール-3-イルメチル)-2,5-ピペラジンジオン
- (2R,5S)-4-メチル-2-ヒドロキシ-2-(3-ヒドロキシベンジル)-5-[(4-ニトロ-1H-インドール-3-イル)メチル]ピペラジン-3,6-ジオン
- (3R,6S)-3-ヒドロキシ-3-[(3-ヒドロキシフェニル)メチル]-1-メチル-6-[(4-ニトロ-1H-インドール-3-イル)メチル]ピペラジン-2,5-ジオン
- (3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
- (2R,5S)-4-Methyl-2-hydroxy-2-(3-hydroxybenzyl)-5-[(4-nitro-1H-indol-3-yl)methyl]piperazine-3,6-dione
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