uspto-grants-2003_04 · 10.6084/m9.figshare.5104873.v1 · US06544980B2
查看![2-(4-(2-Bromo-6-phthalimidohexanoyl-amino)-3-oxo-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl)-4-methyl-valeric acid t-butyl ester 分子结构式](/api/mol/53884767/svg/360x280.svg)
HCID53884767
2-(4-(2-Bromo-6-phthalimidohexanoyl-amino)-3-oxo-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl)-4-methyl-valeric acid t-butyl ester
tert-butyl 2-[4-[[2-bromo-6-(1,3-dioxoisoindol-2-yl)hexanoyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-4-methylpentanoate
C34H42BrN3O6668.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)CC(C(=O)OC(C)(C)C)N1Cc2ccccc2CC(NC(=O)C(Br)CCCCN2C(=O)c3ccccc3C2=O)C1=O
- InChIKey
- HMIWCBFDJWRPCJ-UHFFFAOYSA-N
- 分子式
- C34H42BrN3O6
- 平均分子量
- 668.6 g/mol
- 单同位素质量
- 667.2257
COMPUTED
结构计算性质
- XLogP
- 5.8
- 极性表面积
- 113 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 13
- 重原子
- 44
- 形式电荷
- 0
- 复杂度
- 1,050
ALIASES
名称与别名
SCHEMBL7159836HMIWCBFDJWRPCJ-UHFFFAOYSA-N2-(4-(2-bromo-6-phthalimidohexanoyl-amino)-3-oxo-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl)-4-methyl-valeric acid t-butyl ester
REACTIONS
