HCID86584428

ethyl (2R)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butylamino)carbothioyl]amino}hexanoate

ethyl (2R)-2-(tert-butylcarbamothioylamino)-6-(phenylmethoxycarbonylamino)hexanoate

C21H33N3O4S423.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=S)NC(C)(C)C
InChIKey: KKBHCDZNQLHOOO-QGZVFWFLSA-N
分子式: C21H33N3O4S
平均分子量: 423.6 g/mol
单同位素质量: 423.21917772

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 121 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 13
重原子: 29
形式电荷: 0
复杂度: 517

ALIASES

名称与别名

共 3 条

KKBHCDZNQLHOOO-QGZVFWFLSA-Nethyl (2R)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butylamino)carbothioyl]amino}hexanoateethyl (2R)-6-{[(benzyloxy)-carbonyl]amino}-2-{[(tert-butylamino)carbothioyl]-amino}hexanoate

REACTIONS

相关反应

4 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699895B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699895B2

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uspto-grants-2002_09 · 10.6084/m9.figshare.5104873.v1 · US06451821B1

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uspto-grants-2002_09 · 10.6084/m9.figshare.5104873.v1 · US06451821B1

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