Chem
J-GLOBAL ID：200907038353207471   Nikkaji number：J133.842K

Tabtoxin

タブトキシン
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： C11H19N3O6
Molecular formula furigana： C11-H19-N3-O6
Molecular weight： 289.288
InChI： InChI=1S/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6(12)2-3-11(20)4-13-10(11)19/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)/t5-,6+,7+,11+/m1/s1
InChI key： BFSBNVPBVGFFCF-WDOVLDDZSA-N
SMILES： C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC[C@]1(O)CNC1=O)C(=O)O
Systematic name  (3)：
  • 4-[(3S)-3-ヒドロキシ-2-オキソ-3-アゼチジニル]-L-Abu-L-Thr-OH
  • (2S,3R)-2-[(2S)-2-アミノ-4-[(3S)-3-ヒドロキシ-2-オキソアゼチジン-3-イル]ブタンアミド]-3-ヒドロキシブタン酸
  • (2S,3R)-2-[(2S)-2-amino-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanamido]-3-hydroxybutanoic acid
Other name (3)：
  • タブトキシン
  • Tabtoxin
  • 4-[(3S)-3-Hydroxy-2-oxo-3-azetidinyl]-L-Abu-L-Thr-OH
CAS registry number： 40957-90-2
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