Name: N-(Azide-PEG3)-N'-(PEG4-NHS ester)-Cy5
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HIT ID:HIT212668045
Cas No:
常用名:N-(Azide-PEG3)-N'-(PEG4-NHS ester)-Cy5
常用名:N-(Azide-PEG3)-N'-(PEG4-NHS ester)-Cy5
IUPAC:1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-2-[(1E,3E)-5-[(2E)-1-{15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indol-1-ium chloride
IUPAC:1-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-2-[(1E,3E)-5-[(2E)-1-{15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indol-1-ium chloride
InChI key:DQTDTGOLVZSMQB-UHFFFAOYSA-M

分子式:C48H65ClN6O11
分子量:937.53
氢键供体数 (HBD):0
氢键受体数 (HBA):13
LogP:2.443156
SMILES:[Cl-].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCOCCOCCOCCN=[N+]=[N-])c3ccccc3C2(C)C)N(CCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)c2ccccc12 |c:9|
SMILES:[Cl-].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCOCCOCCOCCN=[N+]=[N-])c3ccccc3C2(C)C)N(CCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)c2ccccc12 |c:9|

N-(Azide-PEG3)-N'-(PEG4-NHS ester)-Cy5 represents a polyethylene glycol (PEG)-derived PROTAC linker, applicable for the synthesis of PROTACs[1].

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