Chem
J-GLOBAL ID:200907037590324737   Nikkaji number:J12.831G

Bestatin

ベスタチン
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: C16H24N2O4
Molecular formula furigana: C16-H24-N2-O4
Molecular weight: 308.378
InChI: InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
InChI key: VGGGPCQERPFHOB-RDBSUJKOSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O
Systematic name  (12):
  • N-[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブチリル]-L-Leu-OH
  • (2S)-2-[[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブチリル]アミノ]-4-メチル吉草酸
  • (-)-N-[(2S,3R)-3-アミノ-2-ヒドロキシ-1-オキソ-4-フェニルブチル]-L-ロイシン
  • N-[(2S,3R)-3-アミノ-2-ヒドロキシ-1-オキソ-4-フェニルブチル]-L-ロイシン
  • N-[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブタノイル]-L-ロイシン
Show all
Other name (17):
  • ベスタチン
  • ウベニメックス
  • NK-421
  • Bestatin
  • Ubenimex
Show all
CAS registry number: 58970-76-6
Regulation number (3):
  • 4-(4)-901
  • OH2915000
  • EINECS2615292
KEGG DRUG: D00087
KEGG COMPOUND: C00732
Application (3):
enzyme inhibitor ,  immunotherapeutic drug ,  antitumor drug
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