Chem
J-GLOBAL ID：200907001004962660   Nikkaji number：J1.507.946K

2-[(2-Oxo-3-methyl-4-vinyl-2,5-dihydro-1H-pyrrole)-5-ylidenemethyl]-3-methyl-5-[3-(2-carboxyethyl)-4-methyl-5-(hydroxymethyl)-1H-pyrrole-2-ylmethyl]-1H-pyrrole-4-propanoic acid

2-[(2-オキソ-3-メチル-4-ビニル-2,5-ジヒドロ-1H-ピロール)-5-イリデンメチル]-3-メチル-5-[3-(2-カルボキシエチル)-4-メチル-5-(ヒドロキシメチル)-1H-ピロール-2-イルメチル]-1H-ピロール-4-プロパン酸
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： C26H31N3O6
Molecular formula furigana： C26-H31-N3-O6
Molecular weight： 481.549
InChI： InChI=1S/C26H31N3O6/c1-5-16-15(4)26(35)29-20(16)10-19-13(2)17(6-8-24(31)32)21(27-19)11-22-18(7-9-25(33)34)14(3)23(12-30)28-22/h5,10,27-28,30H,1,6-9,11-12H2,2-4H3,(H,29,35)(H,31,32)(H,33,34)
InChI key： QRNXJMZNZJLAAH-UHFFFAOYSA-N
SMILES： CC1=C(C=C)C(=Cc2[nH]c(Cc3[nH]c(CO)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
Systematic name  (3)：
  • 2-[(2-オキソ-3-メチル-4-ビニル-2,5-ジヒドロ-1H-ピロール)-5-イリデンメチル]-3-メチル-5-[3-(2-カルボキシエチル)-4-メチル-5-(ヒドロキシメチル)-1H-ピロール-2-イルメチル]-1H-ピロール-4-プロパン酸
  • 3-(2-{[3-(2-カルボキシエチル)-5-(ヒドロキシメチル)-4-メチル-1H-ピロール-2-イル]メチル}-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-3-イル)プロパン酸
  • 3-(2-{[3-(2-carboxyethyl)-5-(hydroxymethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
Other name (1)：
  • 2-[(2-Oxo-3-methyl-4-vinyl-2,5-dihydro-1H-pyrrole)-5-ylidenemethyl]-3-methyl-5-[3-(2-carboxyethyl)-4-methyl-5-(hydroxymethyl)-1H-pyrrole-2-ylmethyl]-1H-pyrrole-4-propanoic acid
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