uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949546B2
查看![(3R,4R)-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-4-{3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureido}-piperidine-1-carboxylic acid t-butyl ester 分子结构式](/api/mol/69747686/svg/360x280.svg)
HCID69747686
(3R,4R)-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-4-{3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureido}-piperidine-1-carboxylic acid t-butyl ester
tert-butyl (3R,4R)-3-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
C32H41FN8O4620.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
- InChIKey
- OHKGNVPFEGMTCX-ZDJNHPEVSA-N
- 分子式
- C32H41FN8O4
- 平均分子量
- 620.7 g/mol
- 单同位素质量
- 620.32347998
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 135 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 8
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,020
ALIASES
名称与别名
SCHEMBL6344950OHKGNVPFEGMTCX-ZDJNHPEVSA-N(3R,4R)-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-4-{3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-ureido}-piperidine-1-carboxylic acid t-butyl ester
REACTIONS
参与反应
uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06627629B2
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