HCID86665798

benzyl (1S,3S,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)cyclopentylcarbamate

benzyl N-[(1S,3S,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]carbamate

C29H46BN3O6543.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)N[C@@]1(C(=O)NC(C)(C)C)C[C@@H](NC(=O)OCc2ccccc2)C[C@@H]1CCCB1OC(C)(C)C(C)(C)O1
InChIKey: PRXUHFNGCMYGIP-BOSRLCDASA-N
分子式: C29H46BN3O6
平均分子量: 543.5 g/mol
单同位素质量: 543.3479664

COMPUTED

结构计算性质

已同步

极性表面积: 115 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 11
重原子: 39
形式电荷: 0
复杂度: 867

ALIASES

名称与别名

共 3 条

SCHEMBL28399327PRXUHFNGCMYGIP-BOSRLCDASA-Nbenzyl (1S,3S,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)cyclopentylcarbamate

REACTIONS

参与反应

2 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440995B2

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09233985B2

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