Chem
J-GLOBAL ID：201107070091055380   Nikkaji number：J2.909.035A

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

10-[[4-(アミノスルホニル)フェネチル]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-1,4,7-三酢酸
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： C24H38N6O9S
Molecular formula furigana： C24-H38-N6-O9-S
Molecular weight： 586.660
InChI： InChI=1S/C24H38N6O9S/c25-40(38,39)20-3-1-19(2-4-20)5-6-26-21(31)15-27-7-9-28(16-22(32)33)11-13-30(18-24(36)37)14-12-29(10-8-27)17-23(34)35/h1-4H,5-18H2,(H,26,31)(H,32,33)(H,34,35)(H,36,37)(H2,25,38,39)
InChI key： NDKJROVDWXLJFB-UHFFFAOYSA-N
SMILES： NS(=O)(=O)c1ccc(CCNC(=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)フェネチル]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-1,4,7-三酢酸
  • 2-[4,7-ビス(カルボキシメチル)-10-({[2-(4-スルファモイルフェニル)エチル]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-({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
Other name (1)：
  • 10-[[4-(Aminosulfonyl)phenethyl]carbamoylmethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid
Thsaurus map：
Thesaurus Map

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