HCID69420098

[1-{4-[{2-[3-Methoxy-4-[3-o-tolyl-ureido]-phenyl]-acetyl}-methyl-amino]-phenyl}-cyclopentyl]-acetic acid tert-butyl ester

tert-butyl 2-[1-[4-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-methylamino]phenyl]cyclopentyl]acetate

C35H43N3O5585.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(CC(=O)N(C)c2ccc(C3(CC(=O)OC(C)(C)C)CCCC3)cc2)ccc1NC(=O)Nc1ccccc1C
InChIKey: MMLFWISBQRVVBL-UHFFFAOYSA-N
分子式: C35H43N3O5
平均分子量: 585.7 g/mol
单同位素质量: 585.32027148

COMPUTED

结构计算性质

已同步

XLogP: 6.6
极性表面积: 97 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 11
重原子: 43
形式电荷: 0
复杂度: 934

ALIASES

名称与别名

共 3 条

SCHEMBL5371733MMLFWISBQRVVBL-UHFFFAOYSA-N[1-{4-[{2-[3-Methoxy-4-[3-o-tolyl-ureido]-phenyl]-acetyl}-methyl-amino]-phenyl}-cyclopentyl]-acetic acid tert-butyl ester

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2007_01 · 10.6084/m9.figshare.5104873.v1 · US07166616B2

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