Chem
J-GLOBAL ID：200907098793078072   Nikkaji number：J776.839G

9-Oxo-12-(2,5-dioxo-3-pyrrolin-1-yl)-1,4,7,10-tetraazadodecane-1,1,4,7-tetraacetic acid

9-オキソ-12-(2,5-ジオキソ-3-ピロリン-1-イル)-1,4,7,10-テトラアザドデカン-1,1,4,7-四酢酸
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： C20H29N5O11
Molecular formula furigana： C20-H29-N5-O11
Molecular weight： 515.476
InChI： InChI=1S/C20H29N5O11/c26-14(21-3-4-25-15(27)1-2-16(25)28)9-23(11-18(31)32)7-5-22(10-17(29)30)6-8-24(12-19(33)34)13-20(35)36/h1-2H,3-13H2,(H,21,26)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChI key： RWDIQDVCYXIARI-UHFFFAOYSA-N
SMILES： OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)NCCN1C(=O)C=CC1=O
Systematic name  (3)：
  • 9-オキソ-12-(2,5-ジオキソ-3-ピロリン-1-イル)-1,4,7,10-テトラアザドデカン-1,1,4,7-四酢酸
  • 2-{[2-({2-[ビス(カルボキシメチル)アミノ]エチル}(カルボキシメチル)アミノ)エチル]({[2-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)エチル]カルバモイル}メチル)アミノ}酢酸
  • 2-{[2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)ethyl]({[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}methyl)amino}acetic acid
Other name (1)：
  • 9-Oxo-12-(2,5-dioxo-3-pyrrolin-1-yl)-1,4,7,10-tetraazadodecane-1,1,4,7-tetraacetic acid
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