uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434762B2
查看![(E)-(7S,10S,13S)-13-tert-Butoxycarbonylamino-10-isopropyl-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(18),4,15(19),16-tetraene-7-carboxylic acid methyl ester 分子结构式](/api/mol/66847119/svg/360x280.svg)
HCID66847119
(E)-(7S,10S,13S)-13-tert-Butoxycarbonylamino-10-isopropyl-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(18),4,15(19),16-tetraene-7-carboxylic acid methyl ester
methyl (4E,7S,10S,13S)-13-[(2-methylpropan-2-yl)oxycarbonylamino]-9,12-dioxo-10-propan-2-yl-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),4,15,18-tetraene-7-carboxylate
C26H37N3O7503.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)[C@@H]1C/C=C/COc2ccc(cc2)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1
- InChIKey
- PLGYDCWFBGDZRX-IGRKFBESSA-N
- 分子式
- C26H37N3O7
- 平均分子量
- 503.6 g/mol
- 单同位素质量
- 503.26315053
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 132 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 6
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 798
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL930513PLGYDCWFBGDZRX-IGRKFBESSA-N(E)-(7S,10S,13S)-13-tert-Butoxycarbonylamino-10-isopropyl-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(18),4,15(19),16-tetraene-7-carboxylic acid methyl ester
REACTIONS
