Name: Candoxatrilat
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212715313
Cas No:123122-54-3
常用名:Candoxatrilat
别名:UK-69578, UK69578, UK 69578, U-73967, U73967, U 73967
别名:UK-69578, UK69578, UK 69578, U-73967, U73967, U 73967
IUPAC:(1s,4s)-4-{1-[(2S)-2-carboxy-2-[(2-methoxyethoxy)methyl]ethyl]cyclopentaneamido}cyclohexane-1-carboxylic acid
IUPAC:(1s,4s)-4-{1-[(2S)-2-carboxy-2-[(2-methoxyethoxy)methyl]ethyl]cyclopentaneamido}cyclohexane-1-carboxylic acid
InChI key:ACZWIDANLCXHBM-HRCADAONSA-N

分子式:C20H33NO7
分子量:399.484
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:1.8676124
SMILES:COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O |wU:16.16,19.23,wD:6.6,(-7.51,-8.48,;-6.17,-7.71,;-4.84,-8.48,;-3.51,-7.71,;-2.17,-8.48,;-.84,-7.71,;.49,-8.48,;1.83,-7.71,;3.16,-8.48,;4.63,-8.96,;4.63,-10.5,;3.16,-10.98,;2.26,-9.73,;3.79,-7.08,;5.32,-6.92,;2.88,-5.83,;3.51,-4.42,;2.6,-3.18,;3.23,-1.77,;4.76,-1.61,;5.67,-2.86,;5.04,-4.26,;5.39,-.2,;6.92,-.04,;4.48,1.04,;.49,-10.02,;-.84,-10.79,;1.83,-10.79,)|
SMILES:COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O |wU:16.16,19.23,wD:6.6,(-7.51,-8.48,;-6.17,-7.71,;-4.84,-8.48,;-3.51,-7.71,;-2.17,-8.48,;-.84,-7.71,;.49,-8.48,;1.83,-7.71,;3.16,-8.48,;4.63,-8.96,;4.63,-10.5,;3.16,-10.98,;2.26,-9.73,;3.79,-7.08,;5.32,-6.92,;2.88,-5.83,;3.51,-4.42,;2.6,-3.18,;3.23,-1.77,;4.76,-1.61,;5.67,-2.86,;5.04,-4.26,;5.39,-.2,;6.92,-.04,;4.48,1.04,;.49,-10.02,;-.84,-10.79,;1.83,-10.79,)|

Candoxatrilat (U 73967, UK69578) is an active neutral endopeptidase inhibitor that reduces atrial natriuretic peptide degradation.

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