Chem
J-GLOBAL ID：200907022998414460   Nikkaji number：J15.143B

Agaritine

アガリチン
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： C12H17N3O4
Molecular formula furigana： C12-H17-N3-O4
Molecular weight： 267.285
InChI： InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1
InChI key： SRSPQXBFDCGXIZ-JTQLQIEISA-N
SMILES： N[C@@H](CCC(=O)NNc1ccc(CO)cc1)C(=O)O
Systematic name  (3)：
  • L-グルタミン酸5-[2-[4-(ヒドロキシメチル)フェニル]ヒドラジド]
  • (2S)-2-アミノ-4-{N'-[4-(ヒドロキシメチル)フェニル]ヒドラジンカルボニル}ブタン酸
  • (2S)-2-amino-4-{N'-[4-(hydroxymethyl)phenyl]hydrazinecarbonyl}butanoic acid
Other name (4)：
  • アガリチン
  • Agaritine
  • NCI-C-08899
  • L-Glutamic acid 5-[2-[4-(hydroxymethyl)phenyl] hydrazide]
CAS registry number： 2757-90-6
Regulation number (1)：
  • MA1284000
KEGG COMPOUND： C01550
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