基本信息
- 标准SMILES
CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)c1ccn(-c2ccc(F)cc2)c1)C(C)(C)C- InChIKey
DPRREPUKXICBIU-UKILVPOCSA-N- 分子式
- C28H32FN3O4
- 平均分子量
- 493.6 g/mol
名称与标识
- 首选名称
- N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl ester
- IUPAC
- benzyl (3S)-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-3-[1-(4-fluorophenyl)pyrrol-3-yl]-4-oxobutanoate
名称与别名
N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl esterN-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl esterN-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl esterSCHEMBL7451148DPRREPUKXICBIU-UKILVPOCSA-NN-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3 (S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl ester
数据库标识
- PubChem CID
- 53772611
性质
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 89.4 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 11
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 742
相关反应
8 条
化合物笔记
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