Biotin-PEG12-TFP ester
HIT212667418
sdf文件结构编辑类似物检索
HIT ID: HIT212667418
Cas No:
分子式: C43H69F4N3O16S
分子量: 992.08
常用名: Biotin-PEG12-TFP ester
氢键受体数 (HBA): 15
氢键供体数 (HBD): 3
LogP: 1.2621073
IUPAC: 2,3,5,6-tetrafluorophenyl 1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate
IUPAC: 2,3,5,6-tetrafluorophenyl 1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate
SMILES: Fc1cc(F)c(F)c(OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1F
SMILES: Fc1cc(F)c(F)c(OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1F
InChI key: YQTIPJSYUMZZNU-XRBIJUOGSA-N
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