Name: JFX 650, NHS ester
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929853
Cas No:2396479-84-6
常用名:JFX 650, NHS ester
IUPAC:1-[9-(2-carboxylato-5-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-2,2-dimethyl-13-[(2,2,3,3,4,4,5,5-2H8)pyrrolidin-1-yl]-2-silatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3,6,8,11,13-hexaen-5-ylidene](2H8)-1lambda5-pyrrolidin-1-ylium
IUPAC:1-[9-(2-carboxylato-5-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-2,2-dimethyl-13-[(2,2,3,3,4,4,5,5-2H8)pyrrolidin-1-yl]-2-silatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3,6,8,11,13-hexaen-5-ylidene](2H8)-1lambda5-pyrrolidin-1-ylium
InChI key:OJCIIHUZGDFMHK-UDNRTFQASA-N

分子式:C35H35N3O6Si
分子量:637.863
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[2H]C1([2H])N(c2ccc3C(=C4C=CC(C=C4[Si](C)(C)c3c2)=[N+]2C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c2cc(ccc2C([O-])=O)C(=O)ON2C(=O)CCC2=O)C([2H])([2H])C([2H])([2H])C1([2H])[2H]
SMILES:[2H]C1([2H])N(c2ccc3C(=C4C=CC(C=C4[Si](C)(C)c3c2)=[N+]2C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])c2cc(ccc2C([O-])=O)C(=O)ON2C(=O)CCC2=O)C([2H])([2H])C([2H])([2H])C1([2H])[2H]

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