Name: N-(Mal-PEG6)-N-bis(PEG7-TCO)
Rating: 5 (10 reviews)

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HIT ID:HIT214314828
Cas No:2093152-84-0
常用名:N-(Mal-PEG6)-N-bis(PEG7-TCO)
IUPAC:cyclooct-4-en-1-yl N-{14-[(2-{2-[2-(2-{N-[2-(2-{2-[2-(1-{[(cyclooct-4-en-1-yloxy)carbonyl]amino}-3,6,9,12-tetraoxapentadecan-15-amido)ethoxy]ethoxy}ethoxy)ethyl]-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18-hexaoxahenicosan-21-amido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-1-yl}carbamate
IUPAC:cyclooct-4-en-1-yl N-{14-[(2-{2-[2-(2-{N-[2-(2-{2-[2-(1-{[(cyclooct-4-en-1-yloxy)carbonyl]amino}-3,6,9,12-tetraoxapentadecan-15-amido)ethoxy]ethoxy}ethoxy)ethyl]-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18-hexaoxahenicosan-21-amido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-1-yl}carbamate
InChI key:LXEACWVJIHRBDM-UHFFFAOYSA-N

分子式:C78H137N7O30
分子量:1652.973
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O=C(CCOCCOCCOCCOCCNC(=O)OC1CCCC=CCC1)NCCOCCOCCOCCN(CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)OC1CCCC=CCC1)C(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O |w:25.25,78.79,c:113|
SMILES:O=C(CCOCCOCCOCCOCCNC(=O)OC1CCCC=CCC1)NCCOCCOCCOCCN(CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)OC1CCCC=CCC1)C(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O |w:25.25,78.79,c:113|

N-(Mal-PEG6)-N-bis(PEG7-TCO) is a polyethylene glycol (PEG)-based PROTAC linker employed for PROTAC synthesis[1].

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