Name: DBCO-NHCO-C4-NHS ester
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667566
Cas No:
常用名:DBCO-NHCO-C4-NHS ester
IUPAC:2,5-dioxopyrrolidin-1-yl 5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentanoate
IUPAC:2,5-dioxopyrrolidin-1-yl 5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentanoate
InChI key:JNVYOJKXEPFCRS-UHFFFAOYSA-N

分子式:C28H27N3O6
分子量:501.539
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:2.162634
SMILES:O=C(CCCCC(=O)ON1C(=O)CCC1=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12
SMILES:O=C(CCCCC(=O)ON1C(=O)CCC1=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc12

DBCO-NHCO-C4-NHS ester is an alkyl chain-derived PROTAC linker applicable for PROTACs synthesis[1].

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