uspto-grants-2003_02 · 10.6084/m9.figshare.5104873.v1 · US06515011B2
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N-(tert-Butoxyacetyl)-D-phenylalanyl-N-(2-{[(tert-butoxycarbonyl)amino]methyl}-5-chlorobenzyl)-L-prolinamide
tert-butyl N-[[4-chloro-2-[[[(2S)-1-[(2R)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]carbamate
C33H45ClN4O6629.2 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CNC(=O)OC(C)(C)C
- InChIKey
- MQPLVFKXODJUKZ-SXOMAYOGSA-N
- 分子式
- C33H45ClN4O6
- 平均分子量
- 629.2 g/mol
- 单同位素质量
- 628.3027629
COMPUTED
结构计算性质
- XLogP
- 4.4
- 极性表面积
- 126 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 14
- 重原子
- 44
- 形式电荷
- 0
- 复杂度
- 974
ALIASES
名称与别名
SCHEMBL6927322MQPLVFKXODJUKZ-SXOMAYOGSA-NN-(tert-Butoxyacetyl)-D-phenylalanyl-N-(2-{[(tert-butoxycarbonyl)amino]methyl}-5-chlorobenzyl)-L-prolinamide
REACTIONS
参与反应
uspto-grants-2003_02 · 10.6084/m9.figshare.5104873.v1 · US06515011B2
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