Chem
J-GLOBAL ID：200907049662981272   Nikkaji number：J1.846.685F

4,4′,4′′-[Nitrilotris[(ethylene)(imino)]]tris(4-oxobutanoic acid)

4,4′,4′′-[ニトリロトリス[(エチレン)(イミノ)]]トリス(4-オキソブタン酸)
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： C18H30N4O9
Molecular formula furigana： C18-H30-N4-O9
Molecular weight： 446.457
InChI： InChI=1S/C18H30N4O9/c23-13(1-4-16(26)27)19-7-10-22(11-8-20-14(24)2-5-17(28)29)12-9-21-15(25)3-6-18(30)31/h1-12H2,(H,19,23)(H,20,24)(H,21,25)(H,26,27)(H,28,29)(H,30,31)
InChI key： LMDLEWFKFNESMM-UHFFFAOYSA-N
SMILES： OC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)O)CCNC(=O)CCC(=O)O
Systematic name  (3)：
  • 4,4′,4′′-[ニトリロトリス[(エチレン)(イミノ)]]トリス(4-オキソブタン酸)
  • 3-[(2-{ビス[2-(3-カルボキシプロパンアミド)エチル]アミノ}エチル)カルバモイル]プロパン酸
  • 3-[(2-{bis[2-(3-carboxypropanamido)ethyl]amino}ethyl)carbamoyl]propanoic acid
Other name (1)：
  • 4,4′,4′′-[Nitrilotris[(ethylene)(imino)]]tris(4-oxobutanoic acid)
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