Chem
J-GLOBAL ID：201107059676308230   Nikkaji number：J2.909.039D

8-[[4-(Aminosulfonyl)phenyl]carbamoylmethyl]-1,4,8,11-tetraazacyclotetradecane-1,4,11-triacetic acid

8-[[4-(アミノスルホニル)フェニル]カルバモイルメチル]-1,4,8,11-テトラアザシクロテトラデカン-1,4,11-三酢酸
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)20-5-3-19(4-6-20)26-21(31)15-27-7-1-8-29(17-23(34)35)13-14-30(18-24(36)37)10-2-9-28(12-11-27)16-22(32)33/h3-6H,1-2,7-18H2,(H,26,31)(H,32,33)(H,34,35)(H,36,37)(H2,25,38,39)
InChI key： KBXUJGPGSUPBIX-UHFFFAOYSA-N
SMILES： NS(=O)(=O)c1ccc(NC(=O)CN2CCCN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CC2)cc1
Systematic name  (3)：
  • 8-[[4-(アミノスルホニル)フェニル]カルバモイルメチル]-1,4,8,11-テトラアザシクロテトラデカン-1,4,11-三酢酸
  • 2-[4,8-ビス(カルボキシメチル)-11-{[(4-スルファモイルフェニル)カルバモイル]メチル}-1,4,8,11-テトラアザシクロテトラデカン-1-イル]酢酸
  • 2-[4,8-bis(carboxymethyl)-11-{[(4-sulfamoylphenyl)carbamoyl]methyl}-1,4,8,11-tetraazacyclotetradecan-1-yl]acetic acid
Other name (1)：
  • 8-[[4-(Aminosulfonyl)phenyl]carbamoylmethyl]-1,4,8,11-tetraazacyclotetradecane-1,4,11-triacetic acid
Thsaurus map：
Thesaurus Map

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