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Vemircopan结构式

中文名称:Vemircopan
英文名称:Vemircopan
CAS:2086178-00-7
分子式: C29H28BrN7O3
分子量:602.48

Vemircopan mol数据

Mol:

 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9048   -0.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0199   -2.1865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548   -2.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2455   -3.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0199   -3.2222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3420   -3.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3341   -1.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6038   -2.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6460   -3.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8099   -3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660   -0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003   -0.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0211   -4.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  1  0  0  0
 13 12  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 12  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  6  0  0  0
 16 15  1  0  0  0  0
 16 40  1  6  0  0  0
 18 19  1  0  0  0  0
 18 33  2  0  0  0  0
 19 34  2  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 21 20  2  0  0  0  0
 22 38  2  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 27 25  1  0  0  0  0
 29 32  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 30  1  0  0  0  0
 35 36  2  0  0  0  0
 36 13  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 38 39  1  0  0  0  0
 38 23  1  0  0  0  0
M  END
                

Vemircopan Smile 编码: C1=CC(C)=C(N=C1Br)NC([C@@H]1C[C@@]2([C@@H](C2)N1C(CN1C2C=CC(C3C=NC(C)=NC=3)=CC=2C(=N1)C(C)=O)=O)C)=O

Vemircopan InChi 编码: 1S/C29H28BrN7O3/c1-15-5-8-24(30)33-27(15)34-28(40)22-10-29(4)11-23(29)37(22)25(39)14-36-21-7-6-18(19-12-31-17(3)32-13-19)9-20(21)26(35-36)16(2)38/h5-9,12-13,22-23H,10-11,14H2,1-4H3,(H,33,34,40)/t22-,23+,29-/m0/s1

如果您需要其它格式的数据,比如:Reaction File,JSDraw2 html,CDX,CDXML等格式的文件,您可以使用我们的结构式搜索工具,可以直接进行导出,(详情请点击); 如果您想了解更多关于巯基乙酸的物化性质,请参考我们化工词典中收录的词条:Vemircopan 如果您有更其他更特殊的定制数据需求,请直接拨打我们的客服热线:4000 025 960;

Vemircopan

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