Name: Butixirate
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319141
Cas No:19992-80-4
常用名:Butixirate
别名:MG-5771, MG5771, MG 5771
IUPAC:(1r,4r)-4-phenylcyclohexan-1-amine; 2-{[1,1'-biphenyl]-4-yl}butanoic acid
IUPAC:(1r,4r)-4-phenylcyclohexan-1-amine; 2-{[1,1'-biphenyl]-4-yl}butanoic acid
InChI key:KWFFVBCJCQQAIV-CLVGDUISSA-N

分子式:C28H33NO2
分子量:415.577
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:N[C@H]1CC[C@@H](CC1)c1ccccc1.CCC(C(O)=O)c1ccc(cc1)-c1ccccc1 |wU:1.0,wD:4.7,(8.26,4.98,;8.26,3.44,;9.59,2.67,;9.59,1.13,;8.26,.36,;6.92,1.13,;6.92,2.67,;8.26,-1.18,;9.59,-1.95,;9.59,-3.49,;8.26,-4.26,;6.92,-3.49,;6.92,-1.95,;2.74,3.38,;1.41,4.15,;.07,3.38,;-1.26,4.15,;-1.26,5.69,;-2.59,3.38,;.07,1.84,;1.41,1.07,;1.41,-.47,;.07,-1.24,;-1.26,-.47,;-1.26,1.07,;.07,-2.78,;1.41,-3.55,;1.41,-5.09,;.07,-5.86,;-1.26,-5.09,;-1.26,-3.55,)|
SMILES:N[C@H]1CC[C@@H](CC1)c1ccccc1.CCC(C(O)=O)c1ccc(cc1)-c1ccccc1 |wU:1.0,wD:4.7,(8.26,4.98,;8.26,3.44,;9.59,2.67,;9.59,1.13,;8.26,.36,;6.92,1.13,;6.92,2.67,;8.26,-1.18,;9.59,-1.95,;9.59,-3.49,;8.26,-4.26,;6.92,-3.49,;6.92,-1.95,;2.74,3.38,;1.41,4.15,;.07,3.38,;-1.26,4.15,;-1.26,5.69,;-2.59,3.38,;.07,1.84,;1.41,1.07,;1.41,-.47,;.07,-1.24,;-1.26,-.47,;-1.26,1.07,;.07,-2.78,;1.41,-3.55,;1.41,-5.09,;.07,-5.86,;-1.26,-5.09,;-1.26,-3.55,)|

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