Chem
J-GLOBAL ID:200907024553467841   Nikkaji number:J1.986.149J

3,3′-(1,3-Dioxo-2-phenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindole-5,6-diyl)bis(N-acetyl-D-alanine methyl) ester

3,3′-(1,3-ジオキソ-2-フェニル-1,3,3a,4,7,7a-ヘキサヒドロ-2H-イソインドール-5,6-ジイル)ビス(N-アセチル-D-アラニンメチル)
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: C26H31N3O8
Molecular formula furigana: C26-H31-N3-O8
Molecular weight: 513.547
InChI: InChI=1S/C26H31N3O8/c1-14(30)27-21(25(34)36-3)12-16-10-19-20(11-17(16)13-22(26(35)37-4)28-15(2)31)24(33)29(23(19)32)18-8-6-5-7-9-18/h5-9,19-22H,10-13H2,1-4H3,(H,27,30)(H,28,31)/t19?,20?,21-,22-/m1/s1
InChI key: NCJXTSGBZRDKMW-LIKPIUCQSA-N
SMILES: COC(=O)[C@@H](CC1=C(C[C@@H](NC(=O)C)C(=O)OC)CC2C(C1)C(=O)N(C2=O)c1ccccc1)NC(=O)C
Systematic name  (3):
  • 3,3′-(1,3-ジオキソ-2-フェニル-1,3,3a,4,7,7a-ヘキサヒドロ-2H-イソインドール-5,6-ジイル)ビス(N-アセチル-D-アラニンメチル)
  • メチル (2R)-2-アセトアミド-3-{6-[(2R)-2-アセトアミド-3-メトキシ-3-オキソプロピル]-1,3-ジオキソ-2-フェニル-2,3,3a,4,7,7a-ヘキサヒドロ-1H-イソインドール-5-イル}プロパノアート
  • methyl (2R)-2-acetamido-3-{6-[(2R)-2-acetamido-3-methoxy-3-oxopropyl]-1,3-dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-5-yl}propanoate
Other name (1):
  • 3,3′-(1,3-Dioxo-2-phenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindole-5,6-diyl)bis(N-acetyl-D-alanine methyl) ester
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