HCID54127116

N-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3(R)-[3-(4-propylphenyl)-1H-pyrrol-1-yl]succinamic acid benzyl ester

benzyl (3R)-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxo-3-[3-(4-propylphenyl)pyrrol-1-yl]butanoate

C31H39N3O4517.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCc1ccc(-c2ccn([C@H](CC(=O)OCc3ccccc3)C(=O)N[C@H](C(=O)NC)C(C)(C)C)c2)cc1
InChIKey: NRTCUKXUKPGPGR-IXCJQBJRSA-N
分子式: C31H39N3O4
平均分子量: 517.7 g/mol
单同位素质量: 517.29405673

COMPUTED

结构计算性质

已同步

XLogP: 5.5
极性表面积: 89.4 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 13
重原子: 38
形式电荷: 0
复杂度: 766

ALIASES

名称与别名

共 3 条

SCHEMBL7609921NRTCUKXUKPGPGR-IXCJQBJRSA-NN-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3(R)-[3-(4-propylphenyl)-1H-pyrrol-1-yl]succinamic acid benzyl ester

REACTIONS