艾沙瑞林结构式

艾沙瑞林
中文名称:艾沙瑞林
英文名称:Examorelin
CAS No.:140703-51-1
分子式:C47H58N12O6 分子量:887.040220000001
艾沙瑞林 数据
Mol:
0 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1739   13.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4774   13.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6451   12.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0047   13.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3644   12.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3644   11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0047   10.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6451   11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6785   15.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1162   15.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3312   16.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1123    7.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4158    8.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5835    7.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9432    8.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3028    7.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3028    5.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9432    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5835    5.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6169    9.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0546    9.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 40  2  0  0  0  0
 33 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 47  2  0  0  0  0
 48 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 46  2  0  0  0  0
 54 55  1  0  0  0  0
 24 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 62 63  1  0  0  0  0
 63 58  2  0  0  0  0
 59 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 57  2  0  0  0  0
M  END                                
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艾沙瑞林 Smile 编码:
NCCCCC(NC(C(NC(C(CC1=CNC2=CC=CC=C12)NC(C(NC(C(CC1=C(C)NC2=CC=CC=C12)NC(C(CC1=CN=CN1)N)=O)=O)C)=O)=O)CC1C=CC=CC=1)=O)C(=O)N
艾沙瑞林 InChi 编码:
InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)
艾沙瑞林 InChiKey 编码:
RVWNMGKSNGWLOL-UHFFFAOYSA-N