Chem
J-GLOBAL ID：200907084805444257   Nikkaji number：J360.542F

4-[2-(5-Isoquinolinylsulfonylamino)ethylamino]-4-oxobutyric acid methyl ester

4-[2-(5-イソキノリニルスルホニルアミノ)エチルアミノ]-4-オキソ酪酸メチル
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： C16H19N3O5S
Molecular formula furigana： C16-H19-N3-O5-S
Molecular weight： 365.400
InChI： InChI=1S/C16H19N3O5S/c1-24-16(21)6-5-15(20)18-9-10-19-25(22,23)14-4-2-3-12-11-17-8-7-13(12)14/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,18,20)
InChI key： NMBAAOGBDXORST-UHFFFAOYSA-N
SMILES： COC(=O)CCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12
Systematic name  (3)：
  • 4-[2-(5-イソキノリニルスルホニルアミノ)エチルアミノ]-4-オキソ酪酸メチル
  • メチル 3-{[2-(イソキノリン-5-スルホンアミド)エチル]カルバモイル}プロパノアート
  • methyl 3-{[2-(isoquinoline-5-sulfonamido)ethyl]carbamoyl}propanoate
Other name (1)：
  • 4-[2-(5-Isoquinolinylsulfonylamino)ethylamino]-4-oxobutyric acid methyl ester
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