Chem
J-GLOBAL ID：201007039747821776   Nikkaji number：J2.805.644C

Clionamide

クリオナミド
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： C19H18BrN3O4
Molecular formula furigana： C19-H18-BR-N3-O4
Molecular weight： 432.274
InChI： InChI=1S/C19H18BrN3O4/c20-12-1-2-13-11(9-23-15(13)8-12)7-14(21)19(27)22-4-3-10-5-16(24)18(26)17(25)6-10/h1-6,8-9,14,23-26H,7,21H2,(H,22,27)/b4-3+/t14-/m0/s1
InChI key： YTHSWGAFCFXWGB-XGACYXMMSA-N
SMILES： N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)N/C=C/c1cc(O)c(O)c(O)c1
Systematic name  (3)：
  • (αS)-α-アミノ-6-ブロモ-N-[(E)-3,4,5-トリヒドロキシスチリル]-1H-インドール-3-プロパンアミド
  • (2S)-2-アミノ-3-(6-ブロモ-1H-インドール-3-イル)-N-[(1E)-2-(3,4,5-トリヒドロキシフェニル)エテニル]プロパンアミド
  • (2S)-2-amino-3-(6-bromo-1H-indol-3-yl)-N-[(1E)-2-(3,4,5-trihydroxyphenyl)ethenyl]propanamide
Other name (3)：
  • (αS)-α-Amino-6-bromo-N-[(E)-3,4,5-trihydroxystyryl]-1H-indole-3-propanamide
  • Clionamide
  • クリオナミド
CAS registry number： 68835-91-6
KEGG COMPOUND： C17092
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