Chem
J-GLOBAL ID:200907025316476824   Nikkaji number:J2.326.216I

4-Oxo-4-[4-[2,4-dioxo-7-(trifluoromethyl)-10-isobutyl-2,3,4,10-tetrahydrobenzo[g]pteridine-3-ylmethyl]anilino]butyric acid

4-オキソ-4-[4-[2,4-ジオキソ-7-(トリフルオロメチル)-10-イソブチル-2,3,4,10-テトラヒドロベンゾ[g]プテリジン-3-イルメチル]アニリノ]酪酸
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: C26H24F3N5O5
Molecular formula furigana: C26-H24-F3-N5-O5
Molecular weight: 543.503
InChI: InChI=1S/C26H24F3N5O5/c1-14(2)12-33-19-8-5-16(26(27,28)29)11-18(19)31-22-23(33)32-25(39)34(24(22)38)13-15-3-6-17(7-4-15)30-20(35)9-10-21(36)37/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,30,35)(H,36,37)
InChI key: JIFDSHCQVDUGBI-UHFFFAOYSA-N
SMILES: CC(C)Cn1c2ccc(cc2nc2c1nc(=O)n(Cc1ccc(NC(=O)CCC(=O)O)cc1)c2=O)C(F)(F)F
Systematic name  (3):
  • 4-オキソ-4-[4-[2,4-ジオキソ-7-(トリフルオロメチル)-10-イソブチル-2,3,4,10-テトラヒドロベンゾ[g]プテリジン-3-イルメチル]アニリノ]酪酸
  • 3-[(4-{[10-(2-メチルプロピル)-2,4-ジオキソ-7-(トリフルオロメチル)-2H,3H,4H,10H-ベンゾ[g]プテリジン-3-イル]メチル}フェニル)カルバモイル]プロパン酸
  • 3-[(4-{[10-(2-methylpropyl)-2,4-dioxo-7-(trifluoromethyl)-2H,3H,4H,10H-benzo[g]pteridin-3-yl]methyl}phenyl)carbamoyl]propanoic acid
Other name (1):
  • 4-Oxo-4-[4-[2,4-dioxo-7-(trifluoromethyl)-10-isobutyl-2,3,4,10-tetrahydrobenzo[g]pteridine-3-ylmethyl]anilino]butyric acid
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