Name: N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7
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HIT ID:HIT212668118
Cas No:2107273-84-5
常用名:N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7
常用名:N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7
IUPAC:1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-2-[(1E)-2-[(3Z)-3-{2-[(2Z)-1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-2-chlorocyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-3H-indol-1-ium chloride
IUPAC:1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-2-[(1E)-2-[(3Z)-3-{2-[(2Z)-1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-2-chlorocyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-3H-indol-1-ium chloride
InChI key:AGTYTVSFKGQCDO-UHFFFAOYSA-M

分子式:C46H62Cl2N8O6
分子量:893.95
氢键供体数 (HBD):0
氢键受体数 (HBA):11
LogP:4.767337
SMILES:[Cl-].CC1(C)\C(=C\C=C2\CCCC(\C=C\C3=[N+](CCOCCOCCOCCN=[N+]=[N-])c4ccccc4C3(C)C)=C2Cl)N(CCOCCOCCOCCN=[N+]=[N-])c2ccccc12 |c:13,39|
SMILES:[Cl-].CC1(C)\C(=C\C=C2\CCCC(\C=C\C3=[N+](CCOCCOCCOCCN=[N+]=[N-])c4ccccc4C3(C)C)=C2Cl)N(CCOCCOCCOCCN=[N+]=[N-])c2ccccc12 |c:13,39|

N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 is a polyethylene glycol (PEG) derived linker compound utilized for the construction of proteolysis targeting chimeras (PROTACs)[1].

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