Molecule Editor

Molecule ID: FYI-1007394 Edit

Molecule Structure InChIKey: XOTNZQATBKLNQV-VNSHMCDUSA-K

Molecule Structure SMILES String: Nc3ccn(C2OC(COP(=O)(N[C@@H](c1ccccc1)P(=O)(O[Na])O[Na])O[Na])C(O)C2O)c(=O)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007394
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    3.6373    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.6624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8054    0.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7846    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    2.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1304    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5609    0.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0921    2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4845    3.0768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8624    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   15.2693    4.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8769    3.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9783    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.7624    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9624    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13  1  1  0  0  0  0
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 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 16  4  1  0  0  0  0
 24 34  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 27 18  1  0  0  0  0
 28 17  1  0  0  0  0
 28 10  1  0  0  0  0
 29  7  2  0  0  0  0
 30  7  1  0  0  0  0
 31 30  1  0  0  0  0
 25 32  1  0  0  0  0
 32 34  1  0  0  0  0
 34  5  1  0  0  0  0
 35 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007394-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    5.3447   -3.1226    6.1175 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0980   -3.0016    4.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3730   -4.1266    4.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1120   -3.9668    2.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5555   -2.7412    2.5869 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151   -2.6657    1.3183 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8082   -1.3639    1.0193 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6036   -1.1415   -0.3667 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8211   -0.4718   -1.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327   -0.2341   -2.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9874    0.2249   -3.2367 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.2695   -0.2348   -2.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0158   -0.5936   -4.8489 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9472   -1.6073   -4.9578 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5545   -1.0016   -4.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2939    0.3380   -5.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072    0.8692   -5.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9752    0.0774   -4.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2536   -4.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4982   -1.7923   -4.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1024   -2.6427   -6.4587 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8236   -1.4999   -7.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5380   -3.3894   -5.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2257   -2.5465   -6.5628 Na  0  0  0  0  0  0  0  0  0  0  0  0
   10.2491   -3.6215   -7.8776 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358   -4.0866   -8.3925 Na  0  0  0  0  0  0  0  0  0  0  0  0
   11.0938    1.9366   -3.5014 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    2.7914   -1.6715 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.2230   -2.4899   -1.0027 C   0  0  3  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
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 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
$$$$