m-PEG12-DBCO
HIT212667848
sdf文件结构编辑类似物检索
HIT ID: HIT212667848
Cas No:
分子式: C44H66N2O14
分子量: 847.012
常用名: m-PEG12-DBCO
氢键受体数 (HBA): 14
氢键供体数 (HBD): 1
LogP: 1.625209
IUPAC: 4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-N-(2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl)-4-oxobutanamide
IUPAC: 4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-N-(2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl)-4-oxobutanamide
SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12
SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12
InChI key: XOSOJWKHYZQWGG-UHFFFAOYSA-N
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