Chem
J-GLOBAL ID:200907051113739146   Nikkaji number:J1.616.118G

(S)-2-(Methylamino)-5-[(R)-1-[6-(sodiosulfooxy)-1H-indole-3-yl]ethyl]-2-oxazoline-4-one

(S)-2-(メチルアミノ)-5-[(R)-1-[6-(ソジオスルホオキシ)-1H-インドール-3-イル]エチル]-2-オキサゾリン-4-オン
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: C14H14N3NaO6S
Molecular formula furigana: C14-H14-N3-NA-O6-S
Molecular weight: 375.330
InChI: InChI=1S/C14H15N3O6S.Na/c1-7(12-13(18)17-14(15-2)22-12)10-6-16-11-5-8(3-4-9(10)11)23-24(19,20)21;/h3-7,12,16H,1-2H3,(H,15,17,18)(H,19,20,21);/q;+1/p-1/t7-,12+;/m1./s1
InChI key: GNQUSVVXBZICSL-JDBHXEDDSA-M
SMILES: CNC1=NC(=O)[C@@H](O1)[C@H](C)c1c[nH]c2cc(OS(=O)(=O)O[Na])ccc12
Systematic name  (3):
  • (S)-2-(メチルアミノ)-5-[(R)-1-[6-(ソジオスルホオキシ)-1H-インドール-3-イル]エチル]-2-オキサゾリン-4-オン
  • 3-[(1R)-1-[(5S)-2-(メチルアミノ)-4-オキソ-4,5-ジヒドロ-1,3-オキサゾール-5-イル]エチル]-1H-インドール-6-イル ナトリウム スルファート
  • 3-[(1R)-1-[(5S)-2-(methylamino)-4-oxo-4,5-dihydro-1,3-oxazol-5-yl]ethyl]-1H-indol-6-yl sodium sulfate
Other name (1):
  • (S)-2-(Methylamino)-5-[(R)-1-[6-(sodiosulfooxy)-1H-indole-3-yl]ethyl]-2-oxazoline-4-one
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