Chem
J-GLOBAL ID：200907035356757600   Nikkaji number：J721.955E

(2R,5S)-1,4-Dimethyl-2-hydroxy-2-(3,4-dihydroxybenzyl)-5-[(4-nitro-1H-indol-3-yl)methyl]piperazine-3,6-dione

(3R)-3β-ヒドロキシ-3-(3,4-ジヒドロキシベンジル)-1,4-ジメチル-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
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： C22H22N3[N+]O6[O-]
Molecular formula furigana： C22-H22-N4-O7
Molecular weight： 454.439
InChI： InChI=1S/C22H22N4O7/c1-24-16(9-13-11-23-14-4-3-5-15(19(13)14)26(32)33)20(29)25(2)22(31,21(24)30)10-12-6-7-17(27)18(28)8-12/h3-8,11,16,23,27-28,31H,9-10H2,1-2H3/t16-,22+/m0/s1
InChI key： NJJFTPZLHKIMEF-KSFYIVLOSA-N
SMILES： CN1[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)C(=O)N(C)[C@@](O)(Cc2ccc(O)c(O)c2)C1=O
Systematic name  (4)：
  • (3R)-3β-ヒドロキシ-3-(3,4-ジヒドロキシベンジル)-1,4-ジメチル-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)-1,4-ジメチル-2-ヒドロキシ-2-(3,4-ジ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-[(3,4-ジヒドロキシフェニル)メチル]-3-ヒドロキシ-1,4-ジメチル-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-[(3,4-dihydroxyphenyl)methyl]-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Other name (1)：
  • (2R,5S)-1,4-Dimethyl-2-hydroxy-2-(3,4-dihydroxybenzyl)-5-[(4-nitro-1H-indol-3-yl)methyl]piperazine-3,6-dione
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