Name: Nateglinide D5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666216
Cas No:1227666-13-8
常用名:Nateglinide D5
别名:Senaglinide D5, A4166 D5
IUPAC:(2R)-3-[(2,3,4,5,6-2H5)phenyl]-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acid
IUPAC:(2R)-3-[(2,3,4,5,6-2H5)phenyl]-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acid
InChI key:OELFLUMRDSZNSF-LYGNPMIWSA-N

分子式:C19H27NO3
分子量:322.46
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:4.0285707
SMILES:[2H]c1c([2H])c([2H])c(C[C@@H](NC(=O)[C@H]2CC[C@@H](CC2)C(C)C)C(O)=O)c([2H])c1[2H] |wU:12.11,wD:8.8,15.18,(-4,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-1.33,-5.39,;-1.33,-6.93,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;6.67,-6.93,;10.67,-7.7,;12,-6.93,;10.67,-9.24,;2.67,-3.08,;1.33,-2.31,;4,-2.31,;,-3.08,;1.33,-3.85,;-1.33,-2.31,;-1.33,-.77,)|
SMILES:[2H]c1c([2H])c([2H])c(C[C@@H](NC(=O)[C@H]2CC[C@@H](CC2)C(C)C)C(O)=O)c([2H])c1[2H] |wU:12.11,wD:8.8,15.18,(-4,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-1.33,-5.39,;-1.33,-6.93,;,-4.62,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;6.67,-6.93,;10.67,-7.7,;12,-6.93,;10.67,-9.24,;2.67,-3.08,;1.33,-2.31,;4,-2.31,;,-3.08,;1.33,-3.85,;-1.33,-2.31,;-1.33,-.77,)|

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