HCID6483558

2-Acetamido-3-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]propanoic acid

C18H19N3O6S3469.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)NC(CSSc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIKey: QTDKOIPCIFSLQY-UHFFFAOYSA-N
分子式: C18H19N3O6S3
平均分子量: 469.6 g/mol
单同位素质量: 469.04359885

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 215 Å²
氢键供体: 4
氢键受体: 9
可旋转键: 9
重原子: 30
形式电荷: 0
复杂度: 719

ALIASES

名称与别名

共 5 条

SCHEMBL8804687QTDKOIPCIFSLQY-UHFFFAOYSA-N2-acetamido-3-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]propanoic acid2-Acetylamino-3-[2-(4-sulfamoylphenylcarbamoyl)phenyl disulfanyl]-propionic acid2-Acetylamino-3-[2-(4-sulfamoylphenylcarbamoyl)phenyldisulfanyl]-propionic acid

REACTIONS

参与反应

3 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05734081

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uspto-grants-1999_07 · 10.6084/m9.figshare.5104873.v1 · US05929114

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uspto-grants-1997_09 · 10.6084/m9.figshare.5104873.v1 · US05668291

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