Chem
J-GLOBAL ID：200907081089593565   Nikkaji number：J1.100.638H

(5E)-6-[3-[[2-(tert-Butylamino)-3,4-dioxo-1-cyclobutenyl]amino]phenyl]-6-(3-pyridyl)-5-hexenoic acid

(5E)-6-[3-[[2-(tert-ブチルアミノ)-3,4-ジオキソ-1-シクロブテニル]アミノ]フェニル]-6-(3-ピリジル)-5-ヘキセン酸
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： C25H27N3O4
Molecular formula furigana： C25-H27-N3-O4
Molecular weight： 433.508
InChI： InChI=1S/C25H27N3O4/c1-25(2,3)28-22-21(23(31)24(22)32)27-18-10-6-8-16(14-18)19(11-4-5-12-20(29)30)17-9-7-13-26-15-17/h6-11,13-15,27-28H,4-5,12H2,1-3H3,(H,29,30)/b19-11+
InChI key： VICNFVKMEAIXSQ-YBFXNURJSA-N
SMILES： CC(C)(C)NC1=C(Nc2cccc(c2)/C(=C\CCCC(=O)O)/c2cccnc2)C(=O)C1=O
Systematic name  (3)：
  • (5E)-6-[3-[[2-(tert-ブチルアミノ)-3,4-ジオキソ-1-シクロブテニル]アミノ]フェニル]-6-(3-ピリジル)-5-ヘキセン酸
  • (5E)-6-(3-{[2-(tert-ブチルアミノ)-3,4-ジオキソシクロブタ-1-エン-1-イル]アミノ}フェニル)-6-(ピリジン-3-イル)ヘキサ-5-エン酸
  • (5E)-6-(3-{[2-(tert-butylamino)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl)-6-(pyridin-3-yl)hex-5-enoic acid
Other name (1)：
  • (5E)-6-[3-[[2-(tert-Butylamino)-3,4-dioxo-1-cyclobutenyl]amino]phenyl]-6-(3-pyridyl)-5-hexenoic acid
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