Name: Cy5-PEG6-NHS ester
Rating: 5 (10 reviews)

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HIT ID:HIT212667553
Cas No:
常用名:Cy5-PEG6-NHS ester
IUPAC:1-[5-({21-[(2,5-dioxopyrrolidin-1-yl)oxy]-21-oxo-3,6,9,12,15,18-hexaoxahenicosan-1-yl}carbamoyl)pentyl]-3,3-dimethyl-2-[(1E,3E)-5-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3H-indol-1-ium chloride
IUPAC:1-[5-({21-[(2,5-dioxopyrrolidin-1-yl)oxy]-21-oxo-3,6,9,12,15,18-hexaoxahenicosan-1-yl}carbamoyl)pentyl]-3,3-dimethyl-2-[(1E,3E)-5-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3H-indol-1-ium chloride
InChI key:LRPAXAJJSGVXEK-UHFFFAOYSA-N

分子式:C51H71ClN4O11
分子量:951.6
氢键供体数 (HBD):1
氢键受体数 (HBA):11
LogP:2.6694171
SMILES:[Cl-].CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
SMILES:[Cl-].CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|

Cy5-PEG6-NHS ester (chloride) is a PEG-based PROTAC linker utilized for PROTACs[1] synthesis.

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