Chem
J-GLOBAL ID：201107047012246492   Nikkaji number：J2.909.038F

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

8-[[4-(アミノスルホニル)ベンジル]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： C25H40N6O9S
Molecular formula furigana： C25-H40-N6-O9-S
Molecular weight： 600.690
InChI： InChI=1S/C25H40N6O9S/c26-41(39,40)21-5-3-20(4-6-21)15-27-22(32)16-28-7-1-8-30(18-24(35)36)13-14-31(19-25(37)38)10-2-9-29(12-11-28)17-23(33)34/h3-6H,1-2,7-19H2,(H,27,32)(H,33,34)(H,35,36)(H,37,38)(H2,26,39,40)
InChI key： KMQIARBMRBCSIN-UHFFFAOYSA-N
SMILES： NS(=O)(=O)c1ccc(CNC(=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)ベンジル]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)メチル]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)methyl]carbamoyl}methyl)-1,4,8,11-tetraazacyclotetradecan-1-yl]acetic acid
Other name (1)：
  • 8-[[4-(Aminosulfonyl)benzyl]carbamoylmethyl]-1,4,8,11-tetraazacyclotetradecane-1,4,11-triacetic acid
Thsaurus map：
Thesaurus Map

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