Chem
J-GLOBAL ID：200907065478549479   Nikkaji number：J884.492E

Thaxtomin B

タキストミンB
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+]O4[O-]
Molecular formula furigana： C22-H22-N4-O5
Molecular weight： 422.441
InChI： InChI=1S/C22H22N4O5/c1-24-18(11-15-13-23-16-9-6-10-17(19(15)16)26(30)31)20(27)25(2)22(29,21(24)28)12-14-7-4-3-5-8-14/h3-10,13,18,23,29H,11-12H2,1-2H3/t18-,22+/m0/s1
InChI key： PCCPGPMTZJOQFC-PGRDOPGGSA-N
SMILES： CN1[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)C(=O)N(C)[C@@](O)(Cc2ccccc2)C1=O
Systematic name  (3)：
  • (3R)-3β-ヒドロキシ-3-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
  • (3R,6S)-3-ベンジル-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-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Other name (3)：
  • タキストミンB
  • Thaxtomin B
  • (3R)-3β-Hydroxy-3-benzyl-1,4-dimethyl-6α-(4-nitro-1H-indol-3-ylmethyl)-2,5-piperazinedione
CAS registry number： 122380-19-2
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