Chem
J-GLOBAL ID：201107078809150167   Nikkaji number：J2.909.036J

10-[[4-(Aminosulfonyl)phenyl]carbamoylmethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid

10-[[4-(アミノスルホニル)フェニル]カルバモイルメチル]-1,4,7,10-テトラアザシクロドデカン-1,4,7-三酢酸
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： C22H34N6O9S
Molecular formula furigana： C22-H34-N6-O9-S
Molecular weight： 558.610
InChI： InChI=1S/C22H34N6O9S/c23-38(36,37)18-3-1-17(2-4-18)24-19(29)13-25-5-7-26(14-20(30)31)9-11-28(16-22(34)35)12-10-27(8-6-25)15-21(32)33/h1-4H,5-16H2,(H,24,29)(H,30,31)(H,32,33)(H,34,35)(H2,23,36,37)
InChI key： KKCUJVJIFOFGMI-UHFFFAOYSA-N
SMILES： NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1
Systematic name  (3)：
  • 10-[[4-(アミノスルホニル)フェニル]カルバモイルメチル]-1,4,7,10-テトラアザシクロドデカン-1,4,7-三酢酸
  • 2-[4,7-ビス(カルボキシメチル)-10-{[(4-スルファモイルフェニル)カルバモイル]メチル}-1,4,7,10-テトラアザシクロドデカン-1-イル]酢酸
  • 2-[4,7-bis(carboxymethyl)-10-{[(4-sulfamoylphenyl)carbamoyl]methyl}-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
Other name (1)：
  • 10-[[4-(Aminosulfonyl)phenyl]carbamoylmethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid
Thsaurus map：
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