Name: N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy5
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HIT ID:HIT212668113
Cas No:2107273-56-1
常用名:N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy5
常用名:N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy5
IUPAC:2-[(1E,3E)-5-[(2Z)-5-[(14-azido-3,6,9,12-tetraoxatetradecan-1-yl)oxy]-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1,3,3-trimethyl-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-3H-indol-1-ium chloride
IUPAC:2-[(1E,3E)-5-[(2Z)-5-[(14-azido-3,6,9,12-tetraoxatetradecan-1-yl)oxy]-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1,3,3-trimethyl-5-(2,5,8,11-tetraoxatridecan-13-yloxy)-3H-indol-1-ium chloride
InChI key:CKLDNAAAZOJWFY-UHFFFAOYSA-M

分子式:C46H68ClN5O10
分子量:886.53
氢键供体数 (HBD):0
氢键受体数 (HBA):13
LogP:2.9962566
SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(\C=C\C=C\C=C1/N(C)c3ccc(OCCOCCOCCOCCOCCN=[N+]=[N-])cc3C1(C)C)=[N+]2C |c:61|
SMILES:[Cl-].COCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(\C=C\C=C\C=C1/N(C)c3ccc(OCCOCCOCCOCCOCCN=[N+]=[N-])cc3C1(C)C)=[N+]2C |c:61|

N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy5 is a PEG-based linker compound utilized for PROTAC synthesis[1].

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