Chemical Compound

2,2'',2''-(10-(2-((2-(3-((3-((3-((1S,4R,Z)-9-amino-4-((4-hydroxybenzyl)carbamoyl)-1-(isoindolin-2-yl)-2,11,16-trioxo-3,8,10,12,15-pentaazaoctadec-9-en-1-yl)phenyl)amino)propyl)amino)-3-oxopropoxy)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

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2,2'',2''-(10-(2-((2-(3-((3-((3-((1S,4R,Z)-9-amino-4-((4-hydroxybenzyl)carbamoyl)-1-(isoindolin-2-yl)-2,11,16-trioxo-3,8,10,12,15-pentaazaoctadec-9-en-1-yl)phenyl)amino)propyl)amino)-3-oxopropoxy)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid 结构式
Primary record

2,2'',2''-(10-(2-((2-(3-((3-((3-((1S,4R,Z)-9-amino-4-((4-hydroxybenzyl)carbamoyl)-1-(isoindolin-2-yl)-2,11,16-trioxo-3,8,10,12,15-pentaazaoctadec-9-en-1-yl)phenyl)amino)propyl)amino)-3-oxopropoxy)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
176814436
SMILES
CCC(=O)NCCNC(=O)NC(=NCCC[C@H](C(=O)NCC1=CC=C(C=C1)O)NC(=O)[C@H](C2=CC(=CC=C2)NCCCNC(=O)CCOCCNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC(=O)O)N4CC5=CC=CC=C5C4)N
Canonical SMILES
CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)CCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1

名称与同义词

  • SCHEMBL31652455
  • BDBM755289
  • US20250213735, Compound 20
  • 2,2'',2''-(10-(2-((2-(3-((3-((3-((1S,4R,Z)-9-amino-4-((4-hydroxybenzyl)carbamoyl)-1-(isoindolin-2-yl)-2,11,16-trioxo-3,8,10,12,15-pentaazaoctadec-9-en-1-yl)phenyl)amino)propyl)amino)-3-oxopropoxy)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid