Chem
J-GLOBAL ID:200907050604057547   Nikkaji number:J941.567J

(S)-4-(Methylsulfinyl)-2-[(1,3-dihydro-1,3-dioxo-2H-isoindol)-2-yl]butyric acid

(2S)-2-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-4-メタンスルフィニルブタン酸
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: C13H13NO5S
Molecular formula furigana: C13-H13-N-O5-S
Molecular weight: 295.310
InChI: InChI=1S/C13H13NO5S/c1-20(19)7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)/t10-,20?/m0/s1
InChI key: QYXFLPXRIFFGJI-SMNKDYLDSA-N
SMILES: CS(=O)CC[C@H](N1C(=O)c2ccccc2C1=O)C(=O)O
Systematic name  (3):
  • (S)-4-(メチルスルフィニル)-2-[(1,3-ジヒドロ-1,3-ジオキソ-2H-イソインドール)-2-イル]酪酸
  • (2S)-2-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-4-メタンスルフィニルブタン酸
  • (2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methanesulfinylbutanoic acid
Other name (1):
  • (S)-4-(Methylsulfinyl)-2-[(1,3-dihydro-1,3-dioxo-2H-isoindol)-2-yl]butyric acid
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