Chem
J-GLOBAL ID:200907008560637153   Nikkaji number:J867.348I

Thaxtomin C

タキストミンC
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: C21H20N3[N+]O3[O-]
Molecular formula furigana: C21-H20-N4-O4
Molecular weight: 392.415
InChI: InChI=1S/C21H20N4O4/c1-24-18(11-14-12-22-15-8-5-9-17(19(14)15)25(28)29)20(26)23-16(21(24)27)10-13-6-3-2-4-7-13/h2-9,12,16,18,22H,10-11H2,1H3,(H,23,26)/t16-,18-/m0/s1
InChI key: IAIWBAHUWORDTI-WMZOPIPTSA-N
SMILES: CN1[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Systematic name  (3):
  • (3S)-3α-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
  • (3S,6S)-3-ベンジル-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
  • (3S,6S)-3-benzyl-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Other name (3):
  • タキストミンC
  • Thaxtomin C
  • (3S)-3α-Benzyl-1-methyl-6α-(4-nitro-1H-indol-3-ylmethyl)-2,5-piperazinedione
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