Chem
J-GLOBAL ID：200907004162815860   Nikkaji number：J1.100.639F

(5Z)-6-[3-(2-Cyano-3-tert-butylguanidino)phenyl]-6-(3-pyridyl)-5-hexenoic acid

(5Z)-6-[3-(2-シアノ-3-tert-ブチルグアニジノ)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： C23H27N5O2
Molecular formula furigana： C23-H27-N5-O2
Molecular weight： 405.502
InChI： InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11-
InChI key： XUTLOCQNGLJNSA-JAIQZWGSSA-N
SMILES： CC(C)(C)NC(=NC#N)Nc1cccc(c1)/C(=C/CCCC(=O)O)/c1cccnc1
Systematic name  (3)：
  • (5Z)-6-[3-(2-シアノ-3-tert-ブチルグアニジノ)フェニル]-6-(3-ピリジル)-5-ヘキセン酸
  • (5Z)-6-[3-(N'-tert-ブチル-N''-シアノカルバムイミドアミド)フェニル]-6-(ピリジン-3-イル)ヘキサ-5-エン酸
  • (5Z)-6-[3-(N'-tert-butyl-N''-cyanocarbamimidamido)phenyl]-6-(pyridin-3-yl)hex-5-enoic acid
Other name (1)：
  • (5Z)-6-[3-(2-Cyano-3-tert-butylguanidino)phenyl]-6-(3-pyridyl)-5-hexenoic acid
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