Name: Cy5-PEG4-acid
Rating: 5 (10 reviews)

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HIT ID:HIT212667549
Cas No:
常用名:Cy5-PEG4-acid
IUPAC:1-{5-[(14-carboxy-3,6,9,12-tetraoxatetradecan-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-[(14-carboxy-3,6,9,12-tetraoxatetradecan-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:SURRHBABZJLEMJ-UHFFFAOYSA-N

分子式:C43H60ClN3O7
分子量:766.42
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:3.3937829
SMILES:[Cl-].CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCOCCOCCOCCOCCC(O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
SMILES:[Cl-].CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCOCCOCCOCCOCCC(O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|

Cy5-PEG4-acid (chloride) serves as a PEG-based PROTAC linker, suitable for synthesizing PROTACs[1].

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