Chem
J-GLOBAL ID：200907053366250910   Nikkaji number：J2.091.199I

2-[[5-[(3-Vinyl-4-methyl-5-oxo-3-pyrroline-2-ylidene)methyl]-3-(2-carboxyethyl)-4-methyl-1H-pyrrole-2-yl]methylene]-7-oxo-8-ethyl-9-methyl-2,4,5,7-tetrahydrodipyrrolo[1,2-a:2′,3′-d]azepine-3-propionic acid

2-[[5-[(3-ビニル-4-メチル-5-オキソ-3-ピロリン-2-イリデン)メチル]-3-(2-カルボキシエチル)-4-メチル-1H-ピロール-2-イル]メチレン]-7-オキソ-8-エチル-9-メチル-2,4,5,7-テトラヒドロジピロロ[1,2-a:2′,3′-d]アゼピン-3-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： C34H36N4O6
Molecular formula furigana： C34-H36-N4-O6
Molecular weight： 596.684
InChI： InChI=1S/C34H36N4O6/c1-6-20-19(5)33(43)37-26(20)14-25-17(3)22(8-10-31(39)40)27(35-25)15-28-23(9-11-32(41)42)24-12-13-38-30(16-29(24)36-28)18(4)21(7-2)34(38)44/h6,14-16,35H,1,7-13H2,2-5H3,(H,37,43)(H,39,40)(H,41,42)
InChI key： JEAQSYQAZFIEAT-UHFFFAOYSA-N
SMILES： CCC1=C(C)C2=CC3=NC(=Cc4[nH]c(C=C5NC(=O)C(=C5C=C)C)c(C)c4CCC(=O)O)C(=C3CCN2C1=O)CCC(=O)O
Systematic name  (2)：
  • 2-[[5-[(3-ビニル-4-メチル-5-オキソ-3-ピロリン-2-イリデン)メチル]-3-(2-カルボキシエチル)-4-メチル-1H-ピロール-2-イル]メチレン]-7-オキソ-8-エチル-9-メチル-2,4,5,7-テトラヒドロジピロロ[1,2-a:2′,3′-d]アゼピン-3-プロピオン酸
  • 2-[[3-(2-カルボキシエチル)-4-メチル-5-[(3-エテニル-4-メチル-5-オキソ-1,5-ジヒドロ-2H-ピロール-2-イリデン)メチル]-1H-ピロール-2-イル]メチレン]-7-オキソ-8-エチル-9-メチル-2,4,5,7-テトラヒドロジピロロ[1,2-a:2′,3′-d]アゼピン-3-プロピオン酸
Other name (2)：
  • 2-[[5-[(3-Vinyl-4-methyl-5-oxo-3-pyrroline-2-ylidene)methyl]-3-(2-carboxyethyl)-4-methyl-1H-pyrrole-2-yl]methylene]-7-oxo-8-ethyl-9-methyl-2,4,5,7-tetrahydrodipyrrolo[1,2-a:2′,3′-d]azepine-3-propionic acid
  • 2-[[3-(2-Carboxyethyl)-4-methyl-5-[(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrole-2-ylidene)methyl]-1H-pyrrole-2-yl]methylene]-7-oxo-8-ethyl-9-methyl-2,4,5,7-tetrahydrodipyrrolo[1,2-a:2′,3′-d]azepine-3-propionic acid
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