Chem
J-GLOBAL ID：201107004350422041   Nikkaji number：J2.909.037H

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

10-[[4-(アミノスルホニル)ベンジル]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： C23H36N6O9S
Molecular formula furigana： C23-H36-N6-O9-S
Molecular weight： 572.630
InChI： InChI=1S/C23H36N6O9S/c24-39(37,38)19-3-1-18(2-4-19)13-25-20(30)14-26-5-7-27(15-21(31)32)9-11-29(17-23(35)36)12-10-28(8-6-26)16-22(33)34/h1-4H,5-17H2,(H,25,30)(H,31,32)(H,33,34)(H,35,36)(H2,24,37,38)
InChI key： MIEJKPIXOCLKHO-UHFFFAOYSA-N
SMILES： NS(=O)(=O)c1ccc(CNC(=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)ベンジル]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)メチル]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)methyl]carbamoyl}methyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
Other name (1)：
  • 10-[[4-(Aminosulfonyl)benzyl]carbamoylmethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid
Thsaurus map：
Thesaurus Map

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