Chem
J-GLOBAL ID：200907038511272898   Nikkaji number：J2.171.521B

2-[[3-(2-Carboxyethyl)-4-methyl-5-[(3-vinyl-4-methyl-5-oxo-3-pyrroline-2-ylidene)methyl]-1H-pyrrole-2-yl]methylene]-7-ethyl-8-oxo-2,4,5,6,8,9-hexahydro-1,9-diazadicyclopenta[a,d]cyclooctene-3-propionic acid

2-[[3-(2-カルボキシエチル)-4-メチル-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]-1H-ピロール-2-イル]メチレン]-7-エチル-8-オキソ-2,4,5,6,8,9-ヘキサヒドロ-1,9-ジアザジシクロペンタ[a,d]シクロオクテン-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/c1-5-19-18(4)33(43)37-26(19)14-25-17(3)21(10-12-31(39)40)27(35-25)15-29-24(11-13-32(41)42)23-9-7-8-22-20(6-2)34(44)38-30(22)16-28(23)36-29/h5,14-16,35H,1,6-13H2,2-4H3,(H,37,43)(H,38,44)(H,39,40)(H,41,42)
InChI key： WENDFNXFXUXUKA-UHFFFAOYSA-N
SMILES： CCC1=C2CCCC3=C(CCC(=O)O)C(=Cc4[nH]c(C=C5NC(=O)C(=C5C=C)C)c(C)c4CCC(=O)O)N=C3C=C2NC1=O
Systematic name  (3)：
  • 2-[[3-(2-カルボキシエチル)-4-メチル-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]-1H-ピロール-2-イル]メチレン]-7-エチル-8-オキソ-2,4,5,6,8,9-ヘキサヒドロ-1,9-ジアザジシクロペンタ[a,d]シクロオクテン-3-プロピオン酸
  • 3-(5-{[3-(2-カルボキシエチル)-5-[(3-エテニル-4-メチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン)メチル]-4-メチル-1H-ピロール-2-イル]メチリデン}-12-エチル-13-オキソ-4,14-ジアザトリシクロ[9.3.0.03,7]テトラデカ-1,3,6,11-テトラエン-6-イル)プロパン酸
  • 3-(5-{[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene}-12-ethyl-13-oxo-4,14-diazatricyclo[9.3.0.03,7]tetradeca-1,3,6,11-tetraen-6-yl)propanoic acid
Other name (1)：
  • 2-[[3-(2-Carboxyethyl)-4-methyl-5-[(3-vinyl-4-methyl-5-oxo-3-pyrroline-2-ylidene)methyl]-1H-pyrrole-2-yl]methylene]-7-ethyl-8-oxo-2,4,5,6,8,9-hexahydro-1,9-diazadicyclopenta[a,d]cyclooctene-3-propionic acid
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