DBCO-NHCO-PEG12-maleimide
HIT212080725
sdf文件结构编辑类似物检索
HIT ID: HIT212080725
Cas No:
分子式: C52H74N4O17
分子量: 1027.175
常用名: DBCO-NHCO-PEG12-maleimide
氢键受体数 (HBA): 17
氢键供体数 (HBD): 2
LogP: 0.1731867
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
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|
InChI key: RSPJSRPEBGDVOY-UHFFFAOYSA-N
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