HCID22977512

1-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (5-oxo-2-phenethyloxy-tetrahydro-furan-3-yl)-amide

1-[2-[(4-amino-3-chlorobenzoyl)amino]propanoyl]-N-[5-oxo-2-(2-phenylethoxy)oxolan-3-yl]pyrrolidine-2-carboxamide

C27H31ClN4O6543 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCCC1C(=O)NC1CC(=O)OC1OCCc1ccccc1
InChIKey: GYXMBTGIODLUJF-UHFFFAOYSA-N
分子式: C27H31ClN4O6
平均分子量: 543 g/mol
单同位素质量: 542.1932124

COMPUTED

结构计算性质

等待补全

XLogP: 2.6
极性表面积: 140 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 9
重原子: 38
形式电荷: 0
复杂度: 869

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 2 条

GYXMBTGIODLUJF-UHFFFAOYSA-N1-[2-(4-Amino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid (5-oxo-2-phenethyloxy-tetrahydro-furan-3-yl)-amide

REACTIONS

相关反应

102 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2008_04 · 10.6084/m9.figshare.5104873.v1 · US07358273B2

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