Name: DBCO-NHCO-PEG12-maleimide
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212080725
Cas No:
常用名:DBCO-NHCO-PEG12-maleimide
IUPAC:N-(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amide
IUPAC:N-(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amide
InChI key:RSPJSRPEBGDVOY-UHFFFAOYSA-N

分子式:C52H74N4O17
分子量:1027.175
氢键供体数 (HBD):2
氢键受体数 (HBA):17
LogP:0.1731867
SMILES:O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 |c:48|
SMILES:O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12 |c:48|

DBCO-NHCO-PEG12-maleimide is a PEG-based PROTAC linker utilized in the synthesis of PROTACs[1].

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