Thalidomide-Propargyne-PEG2-COOH结构式

Thalidomide-Propargyne-PEG2-COOH
英文名称:Thalidomide-Propargyne-PEG2-COOH
CAS No.:2797619-65-7
分子式:C21H20N2O8 分子量:428.392106056213
Thalidomide-Propargyne-PEG2-COOH 数据
Mol:
.3251   -0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0
  2 15  2  0
  3 16  2  0
  4 19  2  0
  5 26  1  0
  5 28  1  0
  6 27  1  0
  6 29  1  0
  7 31  1  0
  8 31  2  0
  9 11  1  0
  9 15  1  0
  9 16  1  0
 10 14  1  0
 10 19  1  0
 11 12  1  0
 11 14  1  0
 12 13  1  0
 13 19  1  0
 15 17  1  0
 16 18  1  0
 17 18  2  0
 17 20  1  0
 18 21  1  0
 20 22  2  0
 21 23  2  0
 22 23  1  0
 22 24  1  0
 24 25  3  0
 25 28  1  0
 26 27  1  0
 29 30  1  0
 30 31  1  0
M  END                                
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Thalidomide-Propargyne-PEG2-COOH Smile 编码:
O=C1C(CCC(N1)=O)N1C(C2C=CC(C#CCOCCOCCC(=O)O)=CC=2C1=O)=O
Thalidomide-Propargyne-PEG2-COOH InChi 编码:
1S/C21H20N2O8/c24-17-6-5-16(19(27)22-17)23-20(28)14-4-3-13(12-15(14)21(23)29)2-1-8-30-10-11-31-9-7-18(25)26/h3-4,12,16H,5-11H2,(H,25,26)(H,22,24,27)
Thalidomide-Propargyne-PEG2-COOH InChiKey 编码:
KZTYSRQJBNPAOM-UHFFFAOYSA-N