Chem
J-GLOBAL ID:200907035294070093   Nikkaji number:J1.499.017H

(3aR)-1,3-Dioxo-8-[3-(6-methyl-2-pyridinylcarbamoyl)benzoyl]-4β,7β-epimino-1,3,3aα,4,7,7aα-hexahydro-2H-isoindole-2-propionic acid

(3aR)-1,3-ジオキソ-8-[3-(6-メチル-2-ピリジニルカルバモイル)ベンゾイル]-4β,7β-エピミノ-1,3,3aα,4,7,7aα-ヘキサヒドロ-2H-イソインドール-2-プロピオン酸
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: C25H22N4O6
Molecular formula furigana: C25-H22-N4-O6
Molecular weight: 474.473
InChI: InChI=1S/C25H22N4O6/c1-13-4-2-7-18(26-13)27-22(32)14-5-3-6-15(12-14)23(33)29-16-8-9-17(29)21-20(16)24(34)28(25(21)35)11-10-19(30)31/h2-9,12,16-17,20-21H,10-11H2,1H3,(H,30,31)(H,26,27,32)/t16-,17+,20-,21+
InChI key: RAKJCWVZVPYUIT-ALFLXDJESA-N
SMILES: Cc1cccc(NC(=O)c2cccc(c2)C(=O)N2[C@H]3C=C[C@@H]2[C@@H]2[C@H]3C(=O)N(CCC(=O)O)C2=O)n1
Systematic name  (3):
  • (3aR)-1,3-ジオキソ-8-[3-(6-メチル-2-ピリジニルカルバモイル)ベンゾイル]-4β,7β-エピミノ-1,3,3aα,4,7,7aα-ヘキサヒドロ-2H-イソインドール-2-プロピオン酸
  • 3-[(1R,2S,6R,7S)-10-{3-[(6-メチルピリジン-2-イル)カルバモイル]ベンゾイル}-3,5-ジオキソ-4,10-ジアザトリシクロ[5.2.1.02,6]デカ-8-エン-4-イル]プロパン酸
  • 3-[(1R,2S,6R,7S)-10-{3-[(6-methylpyridin-2-yl)carbamoyl]benzoyl}-3,5-dioxo-4,10-diazatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanoic acid
Other name (1):
  • (3aR)-1,3-Dioxo-8-[3-(6-methyl-2-pyridinylcarbamoyl)benzoyl]-4β,7β-epimino-1,3,3aα,4,7,7aα-hexahydro-2H-isoindole-2-propionic acid
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