Glycinamide,glycyl-L-histidyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI)结构式

Glycinamide,glycyl-L-histidyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI)
英文名称:Glycinamide,glycyl-L-histidyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI)
CAS No.:121034-91-1
分子式:C35H40N10O4 分子量:664.7567
Glycinamide,glycyl-L-histidyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI) 数据
Mol:
0  0  0  0  0  0  0  0
    0.3270   13.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7599    5.7378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9266    6.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    8.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4198    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7462    4.7675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5795    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9059    2.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0863    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9196    3.1516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5865    7.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0797    6.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3498    7.7914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6200    6.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1348    5.3754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5648    5.3754    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 23 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 21  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 29  2  0  0  0  0
  6 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 38 36  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 38 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 45  2  0  0  0  0
M  END                                
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Glycinamide,glycyl-L-histidyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI) Smile 编码:
NCCCC[C@H](NC([C@H](CC1=CN=CN1)NC(CN)=O)=O)C(NCC(NC1C=CC(NC2C3=CC=CC=C3N=C3C=CC=CC=23)=CC=1)=O)=O
Glycinamide,glycyl-L-histidyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI) InChi 编码:
InChI=1S/C35H40N10O4/c36-16-6-5-11-29(45-35(49)30(44-31(46)18-37)17-24-19-38-21-40-24)34(48)39-20-32(47)41-22-12-14-23(15-13-22)42-33-25-7-1-3-9-27(25)43-28-10-4-2-8-26(28)33/h1-4,7-10,12-15,19,21,29-30H,5-6,11,16-18,20,36-37H2,(H,38,40)(H,39,48)(H,41,47)(H,42,43)(H,44,46)(H,45,49)/t29-,30-/m0/s1
Glycinamide,glycyl-L-histidyl-L-lysyl-N-[4-(9-acridinylamino)phenyl]- (9CI) InChiKey 编码:
JCTUZGULWQYACN-KYJUHHDHSA-N