uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09315543B2
查看![Allyl-O-({(14S)-1-azido-14-[(tert-butoxycarbonyl)amino]-13-oxo-3,6,9-trioxa-12-azahexadecan-16-yl}carbamoyl)-N-(tert-butoxycarbonyl)-L-tyrosinate 分子结构式](/api/mol/89555031/svg/360x280.svg)
HCID89555031
Allyl-O-({(14S)-1-azido-14-[(tert-butoxycarbonyl)amino]-13-oxo-3,6,9-trioxa-12-azahexadecan-16-yl}carbamoyl)-N-(tert-butoxycarbonyl)-L-tyrosinate
prop-2-enyl (2S)-3-[4-[[(3S)-4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]carbamoyloxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
C35H55N7O12765.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C=CCOC(=O)[C@H](Cc1ccc(OC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCOCCOCCN=[N+]=[N-])cc1)NC(=O)OC(C)(C)C
- InChIKey
- AVNRPYTZZNNHFW-NSOVKSMOSA-N
- 分子式
- C35H55N7O12
- 平均分子量
- 765.9 g/mol
- 单同位素质量
- 765.39087022
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 212 Ų
- 氢键供体
- 4
- 氢键受体
- 14
- 可旋转键
- 30
- 重原子
- 54
- 形式电荷
- 0
- 复杂度
- 1,210
ALIASES
名称与别名
SCHEMBL14933245AVNRPYTZZNNHFW-NSOVKSMOSA-NAllyl-O-({(14S)-1-azido-14-[(tert-butoxycarbonyl)amino]-13-oxo-3,6,9-trioxa-12-azahexadecan-16-yl}carbamoyl)-N-(tert-butoxycarbonyl)-L-tyrosinate
REACTIONS
参与反应
uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09315543B2
查看