N-(m-PEG9)-N'-(propargyl-PEG8)-Cy5
HIT212668103
sdf文件结构编辑类似物检索
HIT ID: HIT212668103
Cas No: 2107273-10-7
分子式: C63H99ClN2O17
分子量: 1191.93
常用名: N-(m-PEG9)-N'-(propargyl-PEG8)-Cy5
常用名: N-(m-PEG9)-N'-(propargyl-PEG8)-Cy5
氢键受体数 (HBA): 18
氢键供体数 (HBD): 0
LogP: 2.9866602
IUPAC: 2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(3,6,9,12,15,18,21,24-octaoxaheptacos-26-yn-1-yl)-3H-indol-1-ium chloride
IUPAC: 2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-(2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(3,6,9,12,15,18,21,24-octaoxaheptacos-26-yn-1-yl)-3H-indol-1-ium chloride
SMILES: [Cl-].COCCOCCOCCOCCOCCOCCOCCOCCOCCN1\C(=C\C=C\C=C\C2=[N+](CCOCCOCCOCCOCCOCCOCCOCCOCC#C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:35|
SMILES: [Cl-].COCCOCCOCCOCCOCCOCCOCCOCCOCCN1\C(=C\C=C\C=C\C2=[N+](CCOCCOCCOCCOCCOCCOCCOCCOCC#C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:35|
InChI key: VABDRXYBYVPCHX-UHFFFAOYSA-M
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