uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07173004B2
查看![[4-Cyclopropanesulfonylaminocarbonyl-18-(isoquinolin-1-yloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-14-yl]-carbamic acid tert-butyl ester 分子结构式](/api/mol/72427494/svg/360x280.svg)
HCID72427494
[4-Cyclopropanesulfonylaminocarbonyl-18-(isoquinolin-1-yloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-14-yl]-carbamic acid tert-butyl ester
tert-butyl N-[4-(cyclopropylsulfonylcarbamoyl)-18-isoquinolin-1-yloxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-14-yl]carbamate
C35H47N5O8S697.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)NC1CCCCCCCC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(Oc3nccc4ccccc34)CN2C1=O
- InChIKey
- WPJJDPQEKYNMRH-UHFFFAOYSA-N
- 分子式
- C35H47N5O8S
- 平均分子量
- 697.8 g/mol
- 单同位素质量
- 697.31453465
COMPUTED
结构计算性质
- XLogP
- 5
- 极性表面积
- 181 Ų
- 氢键供体
- 3
- 氢键受体
- 9
- 可旋转键
- 8
- 重原子
- 49
- 形式电荷
- 0
- 复杂度
- 1,360
ALIASES
名称与别名
WPJJDPQEKYNMRH-UHFFFAOYSA-N[4-Cyclopropanesulfonylaminocarbonyl-18-(isoquinolin-1-yloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-14-yl]-carbamic acid tert-butyl ester
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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