Chem
J-GLOBAL ID：200907072199435486   Nikkaji number：J720.716F

Aladotrilat

アラドトリラト
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： C14H17NO5S
Molecular formula furigana： C14-H17-N-O5-S
Molecular weight： 311.350
InChI： InChI=1S/C14H17NO5S/c1-8(14(17)18)15-13(16)10(6-21)4-9-2-3-11-12(5-9)20-7-19-11/h2-3,5,8,10,21H,4,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m0/s1
InChI key： TXSINLUUGRGAJO-WCBMZHEXSA-N
SMILES： C[C@H](NC(=O)[C@@H](CS)Cc1ccc2OCOc2c1)C(=O)O
Systematic name  (3)：
  • N-[(S)-1-オキソ-2-(メルカプトメチル)-3-(1,3-ベンゾジオキソール-5-イル)プロピル]-L-アラニン
  • (2S)-2-[(2S)-2-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-3-スルファニルプロパンアミド]プロパン酸
  • (2S)-2-[(2S)-2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanylpropanamido]propanoic acid
Other name (3)：
  • アラドトリラト
  • Aladotrilat
  • N-[(S)-1-Oxo-2-(mercaptomethyl)-3-(1,3-benzodioxol-5-yl)propyl]-L-alanine
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