Chem
J-GLOBAL ID：201207061442711296   Nikkaji number：J3.009.285F

(S)-2-[4-[4-Oxo-4-[3-(5-tert-butyl-1H-imidazole-4-ylmethylene)-5-oxo-6-benzylidene-3,4,5,6-tetrahydropyrazine-2-yloxymethoxy]butyl]-1H-1,2,3-triazole-1-yl]-3-hydroxypropanoic acid

(S)-2-[4-[4-オキソ-4-[3-(5-tert-ブチル-1H-イミダゾール-4-イルメチレン)-5-オキソ-6-ベンジリデン-3,4,5,6-テトラヒドロピラジン-2-イルオキシメトキシ]ブチル]-1H-1,2,3-トリアゾール-1-イル]-3-ヒドロキシプロパン酸
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： C29H33N7O7
Molecular formula furigana： C29-H33-N7-O7
Molecular weight： 591.625
InChI： InChI=1S/C29H33N7O7/c1-29(2,3)25-20(30-16-31-25)13-22-27(33-21(26(39)32-22)12-18-8-5-4-6-9-18)43-17-42-24(38)11-7-10-19-14-36(35-34-19)23(15-37)28(40)41/h4-6,8-9,12-14,16,23,37H,7,10-11,15,17H2,1-3H3,(H,30,31)(H,32,39)(H,40,41)/t23-/m0/s1
InChI key： MYLYAIYIBAXBTL-QHCPKHFHSA-N
SMILES： CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2)nc1OCOC(=O)CCCc1cn(nn1)[C@@H](CO)C(=O)O
Systematic name  (3)：
  • (S)-2-[4-[4-オキソ-4-[3-(5-tert-ブチル-1H-イミダゾール-4-イルメチレン)-5-オキソ-6-ベンジリデン-3,4,5,6-テトラヒドロピラジン-2-イルオキシメトキシ]ブチル]-1H-1,2,3-トリアゾール-1-イル]-3-ヒドロキシプロパン酸
  • (2S)-2-(4-{4-[({3-[(5-tert-ブチル-1H-イミダゾール-4-イル)メチリデン]-5-オキソ-6-(フェニルメチリデン)-3,4,5,6-テトラヒドロピラジン-2-イル}オキシ)メトキシ]-4-オキソブチル}-1H-1,2,3-トリアゾール-1-イル)-3-ヒドロキシプロパン酸
  • (2S)-2-(4-{4-[({3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-5-oxo-6-(phenylmethylidene)-3,4,5,6-tetrahydropyrazin-2-yl}oxy)methoxy]-4-oxobutyl}-1H-1,2,3-triazol-1-yl)-3-hydroxypropanoic acid
Other name (1)：
  • (S)-2-[4-[4-Oxo-4-[3-(5-tert-butyl-1H-imidazole-4-ylmethylene)-5-oxo-6-benzylidene-3,4,5,6-tetrahydropyrazine-2-yloxymethoxy]butyl]-1H-1,2,3-triazole-1-yl]-3-hydroxypropanoic acid
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