HCID66920060

(S)-2-{[5-(3,3-Dimethyl-2-oxo-butoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-pentanedioic acid 5-tert-butyl ester 1-methyl ester

5-O-tert-butyl 1-O-methyl (2S)-2-[[5-(3,3-dimethyl-2-oxobutoxy)-1-phenylpyrazole-3-carbonyl]amino]pentanedioate

C26H35N3O7501.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(OCC(=O)C(C)(C)C)n(-c2ccccc2)n1
InChIKey: DTROEOSRFMFMJA-SFHVURJKSA-N
分子式: C26H35N3O7
平均分子量: 501.6 g/mol
单同位素质量: 501.24750046

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 126 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 14
重原子: 36
形式电荷: 0
复杂度: 781

ALIASES

名称与别名

共 3 条

SCHEMBL1143691DTROEOSRFMFMJA-SFHVURJKSA-N(S)-2-{[5-(3,3-Dimethyl-2-oxo-butoxy)-1-phenyl-1H-pyrazole-3-carbonyl]-amino}-pentanedioic acid 5-tert-butyl ester 1-methyl ester

REACTIONS

参与反应

4 条

uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08598179B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08598179B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08598179B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08598179B2

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