Chemical Compound

2-{5-[(4-{[(4-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}butyl)carbamothioyl]amino}phenyl)methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid

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2-{5-[(4-{[(4-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}butyl)carbamothioyl]amino}phenyl)methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid 结构式
Primary record

2-{5-[(4-{[(4-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}butyl)carbamothioyl]amino}phenyl)methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101993671
SMILES
C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)NC(=S)NCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)CC(=O)O)CC(=O)O
Canonical SMILES
O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)C(Cc2ccc(NC(=S)NCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2)CN(CC(=O)O)CC1

名称与同义词

  • Biotin-P-DOTA
  • SCHEMBL30931202
  • J755.049I
  • 2-[4-[3-[4-[[5-[[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol]-4-yl]pentanoyl]amino]butyl]thioureido]benzyl]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid
  • 2-{5-[(4-{[(4-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}butyl)carbamothioyl]amino}phenyl)methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid