Name: N-(m-PEG9)-N'-(PEG5-acid)-Cy5
Rating: 5 (10 reviews)

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HIT ID:HIT212668102
Cas No:2107273-26-5
常用名:N-(m-PEG9)-N'-(PEG5-acid)-Cy5
IUPAC:2-[(1E,3E)-5-[(2E)-1-(17-carboxy-3,6,9,12,15-pentaoxaheptadecan-1-yl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl)-3H-indol-1-ium chloride
IUPAC:2-[(1E,3E)-5-[(2E)-1-(17-carboxy-3,6,9,12,15-pentaoxaheptadecan-1-yl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl)-3H-indol-1-ium chloride
InChI key:UGQMQMLGHBYOHY-UHFFFAOYSA-N

分子式:C57H89ClN2O16
分子量:1093.79
氢键供体数 (HBD):1
氢键受体数 (HBA):17
LogP:2.6144998
SMILES:[Cl-].COCCOCCOCCOCCOCCOCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2\N(CCOCCOCCOCCOCCOCCC(O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:28|
SMILES:[Cl-].COCCOCCOCCOCCOCCOCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2\N(CCOCCOCCOCCOCCOCCC(O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:28|

N-(m-PEG9)-N'-(PEG5-acid)-Cy5 is a PEG-based PROTAC linker employed for the synthesis of PROTACs[1].

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