Chem
J-GLOBAL ID:200907026342915328   Nikkaji number:J397.950D

1-[[8-(Pyrrolidin-1-yl)-6-oxa-3-thiaoctan-1-yl]amino]-2-amino-1-butene-3,4-dione

1-[[8-(ピロリジン-1-イル)-6-オキサ-3-チアオクタン-1-イル]アミノ]-2-アミノ-1-ブテン-3,4-ジオン
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: C14H25N3O3S
Molecular formula furigana: C14-H25-N3-O3-S
Molecular weight: 315.430
InChI: InChI=1S/C14H25N3O3S/c15-13(14(19)12-18)11-16-3-9-21-10-8-20-7-6-17-4-1-2-5-17/h11-12,16H,1-10,15H2
InChI key: IBXWRBULVKYYCR-UHFFFAOYSA-N
SMILES: NC(=CNCCSCCOCCN1CCCC1)C(=O)C=O
Systematic name  (3):
  • 1-[[8-(ピロリジン-1-イル)-6-オキサ-3-チアオクタン-1-イル]アミノ]-2-アミノ-1-ブテン-3,4-ジオン
  • 3-アミノ-2-オキソ-4-{[2-({2-[2-(ピロリジン-1-イル)エトキシ]エチル}スルファニル)エチル]アミノ}ブタ-3-エナール
  • 3-amino-2-oxo-4-{[2-({2-[2-(pyrrolidin-1-yl)ethoxy]ethyl}sulfanyl)ethyl]amino}but-3-enal
Other name (1):
  • 1-[[8-(Pyrrolidin-1-yl)-6-oxa-3-thiaoctan-1-yl]amino]-2-amino-1-butene-3,4-dione
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