uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08163754B2
查看![N-{(1S,2R,3S,4R)-4-[6-(2,2-Diphenyl-ethylamino)-2-(2-piperidin-1-yl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-N'-(2-piperidin-1-yl-ethyl)-oxalamide 分子结构式](/api/mol/67019366/svg/360x280.svg)
HCID67019366
N-{(1S,2R,3S,4R)-4-[6-(2,2-Diphenyl-ethylamino)-2-(2-piperidin-1-yl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-N'-(2-piperidin-1-yl-ethyl)-oxalamide
N'-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]-N-(2-piperidin-1-ylethyl)oxamide
C40H54N10O4738.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C(NCCN1CCCCC1)C(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCCCC4)nc32)[C@H](O)[C@@H]1O
- InChIKey
- FPCUZAIDLAXJGV-LSHZFYPFSA-N
- 分子式
- C40H54N10O4
- 平均分子量
- 738.9 g/mol
- 单同位素质量
- 738.43295024
COMPUTED
结构计算性质
- XLogP
- 3.8
- 极性表面积
- 173 Ų
- 氢键供体
- 6
- 氢键受体
- 11
- 可旋转键
- 14
- 重原子
- 54
- 形式电荷
- 0
- 复杂度
- 1,140
ALIASES
名称与别名
SCHEMBL1402071FPCUZAIDLAXJGV-LSHZFYPFSA-NN-{(1S,2R,3S,4R)-4-[6-(2,2-Diphenyl-ethylamino)-2-(2-piperidin-1-yl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-N'-(2-piperidin-1-yl-ethyl)-oxalamide
REACTIONS
参与反应