uspto-grants-1996_10 · 10.6084/m9.figshare.5104873.v1 · US05565476
查看![4-{[1(S)-(cyclohexylmethyl)-2(R),3(S)-dihydroxy-5-methylhexyl]amino}-4-oxo-3(R)-{{2-[(2,2,2-trichloroethoxy)carbonylamino]-4-thiazolyl}methyl}butanoic Acid 分子结构式](/api/mol/54330036/svg/360x280.svg)
HCID54330036
4-{[1(S)-(cyclohexylmethyl)-2(R),3(S)-dihydroxy-5-methylhexyl]amino}-4-oxo-3(R)-{{2-[(2,2,2-trichloroethoxy)carbonylamino]-4-thiazolyl}methyl}butanoic Acid
(3R)-4-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-4-oxo-3-[[2-(2,2,2-trichloroethoxycarbonylamino)-1,3-thiazol-4-yl]methyl]butanoic acid
C25H38Cl3N3O7S631 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)O)Cc1csc(NC(=O)OCC(Cl)(Cl)Cl)n1
- InChIKey
- SXRMCHXCOPVXJP-BOFXEDATSA-N
- 分子式
- C25H38Cl3N3O7S
- 平均分子量
- 631 g/mol
- 单同位素质量
- 629.149605
COMPUTED
结构计算性质
- XLogP
- 5.4
- 极性表面积
- 186 Ų
- 氢键供体
- 5
- 氢键受体
- 9
- 可旋转键
- 15
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 799
ALIASES
名称与别名
SCHEMBL7287158SXRMCHXCOPVXJP-BOFXEDATSA-N4-{[1(S)-(cyclohexylmethyl)-2(R),3(S)-dihydroxy-5-methylhexyl]amino}-4-oxo-3(R)-{{2-[(2,2,2-trichloroethoxy)carbonylamino]-4-thiazolyl}methyl}butanoic Acid
REACTIONS
参与反应