HRID1208598
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看HCID57111464
2-{[1-(2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-2-methyl-propyl]-hydroxy-phosphinoyloxy}-5-tert-butoxycarbonylamino-pentanoic acid
2-[hydroxy-[2-methyl-1-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl]phosphoryl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
C31H44N3O10P649.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)(O)OC(CCCNC(=O)OC(C)(C)C)C(=O)O
- InChIKey
- HUIRFPGTLVLDIV-UHFFFAOYSA-N
- 分子式
- C31H44N3O10P
- 平均分子量
- 649.7 g/mol
- 单同位素质量
- 649.27643161
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 190 Ų
- 氢键供体
- 5
- 氢键受体
- 10
- 可旋转键
- 19
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,010
ALIASES
名称与别名
SCHEMBL5073930HUIRFPGTLVLDIV-UHFFFAOYSA-N2-{[1-(2-benzyloxycarbonylamino-3-phenyl-propionylamino)-2-methyl-propyl]-hydroxy-phosphinoyloxy}-5-tert-butoxycarbonylamino-pentanoic acid
REACTIONS