HCID66620010

2-[2-({[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetylamino]-3-methyl-butyric acid

2-[[2-[[2-[[2-(4-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]-3-methylbutanoic acid

C22H30BrN3O7528.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)C(NC(=O)CN(CC(=O)NCC(=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C)C(=O)O
InChIKey: GLHIIFZKVXYBIB-UHFFFAOYSA-N
分子式: C22H30BrN3O7
平均分子量: 528.4 g/mol
单同位素质量: 527.12671

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 142 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 12
重原子: 33
形式电荷: 0
复杂度: 728

ALIASES

名称与别名

共 4 条

SCHEMBL202941GLHIIFZKVXYBIB-UHFFFAOYSA-N2-[2-({[2-(4-bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbon yl-amino)-acetylamino]-3-methyl-butyric acid2-[2-({[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetylamino]-3-methyl-butyric acid

REACTIONS