Name: N-(m-PEG4)-N'-(4-Hydroxycyclohexyl-1-amido-PEG4)-Cy5
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HIT ID:HIT212668084
Cas No:2107273-72-1
常用名:N-(m-PEG4)-N'-(4-Hydroxycyclohexyl-1-amido-PEG4)-Cy5
常用名:N-(m-PEG4)-N'-(4-Hydroxycyclohexyl-1-amido-PEG4)-Cy5
别名:n-m-peg4-n-4-hydroxycyclohexyl-1-amido-peg4-cy5
别名:n-m-peg4-n-4-hydroxycyclohexyl-1-amido-peg4-cy5
IUPAC:2-[(1E,3E)-5-[(2E)-1-{14-[(4-hydroxycyclohexyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-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-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
IUPAC:2-[(1E,3E)-5-[(2E)-1-{14-[(4-hydroxycyclohexyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-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-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
InChI key:JFQMYTOWRSXERF-UHFFFAOYSA-N

分子式:C51H76ClN3O10
分子量:926.63
氢键供体数 (HBD):2
氢键受体数 (HBA):11
LogP:2.7256382
SMILES:[Cl-].COCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2\N(CCOCCOCCOCCOCCC(=O)NC3CCC(O)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:13|
SMILES:[Cl-].COCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2\N(CCOCCOCCOCCOCCC(=O)NC3CCC(O)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:13|

N-(m-PEG4)-N'-(4-Hydroxycyclohexyl-1-amido-PEG4)-Cy5 is a polyethylene glycol (PEG)-based linker compound primarily utilized in the synthesis of proteolysis-targeting chimeras (PROTACs)[1].

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