uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08633315B2
查看![N-((1S)-1-((1R)-2-(((4'S)-6'-(2,2-dimethylpropyl)-8'-(1-methyl-1H-imidazol-2-yl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-c]pyridin]-4'-yl)amino)-1-hydroxyethyl)-3-buten-1-yl)-2-methoxyacetamide 分子结构式](/api/mol/57515884/svg/360x280.svg)
HCID57515884
N-((1S)-1-((1R)-2-(((4'S)-6'-(2,2-dimethylpropyl)-8'-(1-methyl-1H-imidazol-2-yl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-c]pyridin]-4'-yl)amino)-1-hydroxyethyl)-3-buten-1-yl)-2-methoxyacetamide
N-[(2R,3S)-1-[[(4S)-6-(2,2-dimethylpropyl)-8-(1-methylimidazol-2-yl)spiro[3,4-dihydropyrano[2,3-c]pyridine-2,1'-cyclobutane]-4-yl]amino]-2-hydroxyhex-5-en-3-yl]-2-methoxyacetamide
C29H43N5O4525.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C=CC[C@H](NC(=O)COC)[C@H](O)CN[C@H]1CC2(CCC2)Oc2c1cc(CC(C)(C)C)nc2-c1nccn1C
- InChIKey
- QKNMCFNBWIBDGT-RJGXRXQPSA-N
- 分子式
- C29H43N5O4
- 平均分子量
- 525.7 g/mol
- 单同位素质量
- 525.33150487
COMPUTED
结构计算性质
- XLogP
- 3.2
- 极性表面积
- 111 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 12
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 800
ALIASES
名称与别名
SCHEMBL2677262QKNMCFNBWIBDGT-RJGXRXQPSA-NN-((1S)-1-((1R)-2-(((4'S)-6'-(2,2-dimethylpropyl)-8'-(1-methyl-1H-imidazol-2-yl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-c]pyridin]-4'-yl)amino)-1-hydroxyethyl)-3-buten-1-yl)-2-methoxyacetamide
REACTIONS
参与反应