Chem
J-GLOBAL ID：200907092740630590   Nikkaji number：J593.918F

[[3-[4-[[6-(2,5-Dioxo-3-pyrrolin-1-yl)hexanoyl]amino]phenyl]propane-1,2-diyl]bisnitrilo]tetraacetic acid

[[1-[4-[6-(2,5-ジオキソ-3-ピロリン-1-イル)ヘキサノイルアミノ]ベンジル]エチレン]ビスニトリロ]四酢酸
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： C27H34N4O11
Molecular formula furigana： C27-H34-N4-O11
Molecular weight： 590.586
InChI： InChI=1S/C27H34N4O11/c32-21(4-2-1-3-11-31-22(33)9-10-23(31)34)28-19-7-5-18(6-8-19)12-20(30(16-26(39)40)17-27(41)42)13-29(14-24(35)36)15-25(37)38/h5-10,20H,1-4,11-17H2,(H,28,32)(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChI key： YKVXWWYFEUPZKJ-UHFFFAOYSA-N
SMILES： OC(=O)CN(CC(Cc1ccc(NC(=O)CCCCCN2C(=O)C=CC2=O)cc1)N(CC(=O)O)CC(=O)O)CC(=O)O
Systematic name  (4)：
  • [[1-[4-[6-(2,5-ジオキソ-3-ピロリン-1-イル)ヘキサノイルアミノ]ベンジル]エチレン]ビスニトリロ]四酢酸
  • [[3-[4-[[6-(2,5-ジオキソ-3-ピロリン-1-イル)ヘキサノイル]アミノ]フェニル]プロパン-1,2-ジイル]ビスニトリロ]四酢酸
  • 2-({1-[ビス(カルボキシメチル)アミノ]-3-{4-[6-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)ヘキサンアミド]フェニル}プロパン-2-イル}(カルボキシメチル)アミノ)酢酸
  • 2-({1-[bis(carboxymethyl)amino]-3-{4-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]phenyl}propan-2-yl}(carboxymethyl)amino)acetic acid
Other name (1)：
  • [[3-[4-[[6-(2,5-Dioxo-3-pyrrolin-1-yl)hexanoyl]amino]phenyl]propane-1,2-diyl]bisnitrilo]tetraacetic acid
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