uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541448B2
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HCID86699386
(2R,3R)-N1,N4-bis(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)-2,3-dihydroxysuccinamide
(2R,3R)-N,N'-bis[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide
C48H60Cl4N6O12S21,119 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
- InChIKey
- SUJPXILTYAHAKO-OUWJEIDNSA-N
- 分子式
- C48H60Cl4N6O12S2
- 平均分子量
- 1,119 g/mol
- 单同位素质量
- 1,116.246474
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 251 Ų
- 氢键供体
- 6
- 氢键受体
- 16
- 可旋转键
- 27
- 重原子
- 72
- 形式电荷
- 0
- 复杂度
- 1,760
ALIASES
名称与别名
CHEMBL3978422SCHEMBL13276415SUJPXILTYAHAKO-OUWJEIDNSA-N(2R,3R)-N1,N4-bis(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)-2,3-dihydroxysuccinamide
REACTIONS
