Name: N-(m-PEG4)-N'-(m-PEG4)-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5
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HIT ID:HIT212668096
Cas No:2107273-54-9
常用名:N-(m-PEG4)-N'-(m-PEG4)-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5
常用名:N-(m-PEG4)-N'-(m-PEG4)-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5
别名:n-m-peg4-n-m-peg4-o-m-peg4-o-propargyl-peg4-cy5
别名:n-m-peg4-n-m-peg4-o-m-peg4-o-propargyl-peg4-cy5
IUPAC:2-[(1E,3E)-5-[(2Z)-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-5-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)-1-(2,5,8,11-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
IUPAC:2-[(1E,3E)-5-[(2Z)-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-5-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)-1-(2,5,8,11-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
InChI key:AQXZWLODURMDEF-UHFFFAOYSA-M

分子式:C63H99ClN2O18
分子量:1207.93
氢键供体数 (HBD):0
氢键受体数 (HBA):19
LogP:2.7182932
SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2N(CCOCCOCCOCCOC)\C(=C/C=C/C=C/C3=[N+](CCOCCOCCOCCOC)c4ccc(OCCOCCOCCOCCOCC#C)cc4C3(C)C)C(C)(C)c2c1 |c:38|
SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2N(CCOCCOCCOCCOC)\C(=C/C=C/C=C/C3=[N+](CCOCCOCCOCCOC)c4ccc(OCCOCCOCCOCCOCC#C)cc4C3(C)C)C(C)(C)c2c1 |c:38|

N-(m-PEG4)-N'-(m-PEG4)-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5 serves as a PEG-based PROTAC linker, facilitating the synthesis of PROTACs[1].

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