uspto-grants-1994_11 · 10.6084/m9.figshare.5104873.v1 · US05364844
查看![(2S, 4S, 5S)-5-{N-[N-(t-Butoxycarbonyl)-3-(4-thiazolyl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(1-hydroxy-1-methylethyl)-N-[2(S)-methylbutyl]hexanamide 分子结构式](/api/mol/14989051/svg/360x280.svg)
HCID14989051
(2S, 4S, 5S)-5-{N-[N-(t-Butoxycarbonyl)-3-(4-thiazolyl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(1-hydroxy-1-methylethyl)-N-[2(S)-methylbutyl]hexanamide
tert-butyl N-[(2S)-1-[[(2S,3S,5S)-1-cyclohexyl-3,6-dihydroxy-6-methyl-5-[[(2S)-2-methylbutyl]carbamoyl]heptan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
C31H54N4O6S610.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)OC(C)(C)C)C(C)(C)O
- InChIKey
- VLZRCTZHGTYSIX-SSKCBDBQSA-N
- 分子式
- C31H54N4O6S
- 平均分子量
- 610.9 g/mol
- 单同位素质量
- 610.37640663
COMPUTED
结构计算性质
- XLogP
- 5.1
- 极性表面积
- 178 Ų
- 氢键供体
- 5
- 氢键受体
- 8
- 可旋转键
- 17
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 861
ALIASES
名称与别名
VLZRCTZHGTYSIX-SSKCBDBQSA-N(2S, 4S, 5S)-5-{N-[N-(t-Butoxycarbonyl)-3-(4-thiazolyl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(1-hydroxy-1-methylethyl)-N-[2(S)-methylbutyl]hexanamide
REACTIONS
参与反应
uspto-grants-1994_11 · 10.6084/m9.figshare.5104873.v1 · US05364844
查看