uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06852863B2
查看![(3-{[{4-[2-(tert-Butyl-dimethyl-silanyloxy)-1,1-dimethyl-ethyl]-benzyl}-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid tert-butyl ester 分子结构式](/api/mol/69729909/svg/360x280.svg)
HCID69729909
(3-{[{4-[2-(tert-Butyl-dimethyl-silanyloxy)-1,1-dimethyl-ethyl]-benzyl}-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid tert-butyl ester
tert-butyl 2-[3-[[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetate
C35H50N2O6SSi654.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(C(C)(C)CO[Si](C)(C)C(C)(C)C)cc2)S(=O)(=O)c2cccnc2)c1
- InChIKey
- YNGSDTAFOLOCTL-UHFFFAOYSA-N
- 分子式
- C35H50N2O6SSi
- 平均分子量
- 654.9 g/mol
- 单同位素质量
- 654.31588503
COMPUTED
结构计算性质
- 极性表面积
- 103 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 16
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,040
ALIASES
名称与别名
SCHEMBL6276340YNGSDTAFOLOCTL-UHFFFAOYSA-N(3-{[{4-[2-(tert-Butyl-dimethyl-silanyloxy)-1,1-dimethyl-ethyl]-benzyl}-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid tert-butyl ester
REACTIONS
