HCID178447292

D-Valsartan Benzyl Ester

benzyl 3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate

C31H35N5O3525.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)OCc1ccccc1)C(C)C
InChIKey: VXKKFWDUSKMRNO-UHFFFAOYSA-N
分子式: C31H35N5O3
平均分子量: 525.6 g/mol
单同位素质量: 525.27399

COMPUTED

结构计算性质

已同步

XLogP: 6.2
极性表面积: 101 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 13
重原子: 39
形式电荷: 0
复杂度: 751

ALIASES

名称与别名

共 10 条

D-Valsartan Benzyl Ester1894176-48-7Valsartan Impurity 144SCHEMBL2950[(S-N-VALERYL-N-([2'-(1H-TETRAZOLE-5-YL)BIPHEN-4-YL]METHYL)-VALINE BENZYL ESTER)AKOS025401058NS00001769benzyl N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-N-pentanoylvalinate(S)-benzyl 2-(N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoatebenzyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate

REACTIONS

参与反应

1 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID161007

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

作为反应物

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

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