HRID1080726
uspto-grants-1996_12
作为产物
uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05583130
查看HCID22867929
3-t-Butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1-[[2'-(2-thienyl)[1,1'-biphenyl]-4-yl]methyl]-1H-1-benzazepin-3(R)-yl]-butanamide
tert-butyl N-[2-methyl-4-oxo-4-[[(3R)-2-oxo-1-[[4-(2-thiophen-2-ylphenyl)phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]butan-2-yl]carbamate
C37H41N3O4S623.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3cccs3)cc2)C1=O)NC(=O)OC(C)(C)C
- InChIKey
- UDDGZODSGNVZGZ-SSEXGKCCSA-N
- 分子式
- C37H41N3O4S
- 平均分子量
- 623.8 g/mol
- 单同位素质量
- 623.28177797
COMPUTED
结构计算性质
- XLogP
- 6.8
- 极性表面积
- 116 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 10
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,020
ALIASES
名称与别名
SCHEMBL9089601UDDGZODSGNVZGZ-SSEXGKCCSA-N3-t-Butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1-[[2'-(2-thienyl)[1,1'-biphenyl]-4-yl]methyl]-1H-1-benzazepin-3(R)-yl]-butanamide
REACTIONS