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HIT220772406
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HIT220772406
  • HIT ID:HIT220772406
  • Cas No:2365531-97-9
  • 常用名:Cyanine 3-dCTP
  • 别名:Cyanine 3-6-propargylamino-2'-deoxycytidine-5'-triphosphate
    别名:Cyanine 3-6-propargylamino-2'-deoxycytidine-5'-triphosphate
  • IUPAC:2-[(1E)-3-[(2E)-1-{5-[(3-{4-amino-1-[(2R,4S,5R)-4-hydroxy-5-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-5-yl}prop-2-yn-1-yl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
    IUPAC:2-[(1E)-3-[(2E)-1-{5-[(3-{4-amino-1-[(2R,4S,5R)-4-hydroxy-5-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-5-yl}prop-2-yn-1-yl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
  • InChI key:InChIKey=CVYRBMDYOKPXEC-ABNQXDDGSA-N
  • 分子式:C43H55N6O20P3S2
  • 分子量:1132.98
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[N+]1=C(\C=C\C=C2\N(CCCCCC(=O)NCC#Cc3cn([C@H]4C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)c(=O)nc3N)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
    SMILES:CC[N+]1=C(\C=C\C=C2\N(CCCCCC(=O)NCC#Cc3cn([C@H]4C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)c(=O)nc3N)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
  • Cyanine 3-dCTP 是带有 Cy3 标签的核苷酸,应用于DNA合成。
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    TargetMolSC
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