Chem
J-GLOBAL ID：201107034096282958   Nikkaji number：J2.909.040H

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

8-[[4-(アミノスルホニル)フェネチル]カルバモイルメチル]-1,4,8,11-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： C26H42N6O9S
Molecular formula furigana： C26-H42-N6-O9-S
Molecular weight： 614.720
InChI： InChI=1S/C26H42N6O9S/c27-42(40,41)22-5-3-21(4-6-22)7-8-28-23(33)17-29-9-1-10-31(19-25(36)37)15-16-32(20-26(38)39)12-2-11-30(14-13-29)18-24(34)35/h3-6H,1-2,7-20H2,(H,28,33)(H,34,35)(H,36,37)(H,38,39)(H2,27,40,41)
InChI key： TZBWTNYRMVFBRO-UHFFFAOYSA-N
SMILES： NS(=O)(=O)c1ccc(CCNC(=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)フェネチル]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-1,4,11-三酢酸
  • 2-[4,8-ビス(カルボキシメチル)-11-({[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)-1,4,8,11-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-({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)-1,4,8,11-tetraazacyclotetradecan-1-yl]acetic acid
Other name (1)：
  • 8-[[4-(Aminosulfonyl)phenethyl]carbamoylmethyl]-1,4,8,11-tetraazacyclotetradecane-1,4,11-triacetic acid
Thsaurus map：
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