Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 09:18:29 UTC

Update Date

2021-09-24 09:18:29 UTC

HMDB ID

HMDB0304375

Secondary Accession Numbers

None

Metabolite Identification

Common Name

GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate

Description

Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5'-phosphoramidate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5'-phosphoramidate can be found in a number of food items such as thistle, wax apple, okra, and hedge mustard, which makes gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5'-phosphoramidate a potential biomarker for the consumption of these food products.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1533005141521452D          

 37 39  0  0  0  0            999 V2000
    9.2910    2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    1.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2910    1.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285    1.9913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    0.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410   -0.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285   -0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7660    1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1785    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0035    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4160   -0.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2410   -0.1521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6535   -0.8666    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.9390   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3679   -0.4541    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.0660   -1.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8910   -1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3035   -2.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1239   -2.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2955   -3.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5810   -3.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4948   -4.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9679   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1609   -3.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0492   -3.5243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7636   -3.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3767   -3.6638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0412   -4.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3767   -5.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1972   -5.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8918   -5.8386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0713   -5.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5864   -6.4198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7358   -4.9987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2207   -4.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 25  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 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
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 30 37  2  0  0  0  0
 27 37  1  0  0  0  0
M  CHG  1  17  -1
M  END

HMDB0304375
     RDKit          3D
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate
 66 68  0  0  0  0  0  0  0  0999 V2000
    6.2486    3.0957   -1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856    1.7563   -1.4979 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055    0.6939   -0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790    1.0608    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1828   -0.7395   -0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8008   -1.2424   -1.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8296   -0.7924   -2.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638    0.5996   -2.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691    1.0940   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    0.2177   -0.4980 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.6253    0.9738 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1684   -0.3497    2.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    2.1786    1.5285 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8202    0.6707    0.6943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321   -0.5269    1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108   -0.3790    0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1002   -0.1270   -0.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801   -0.2515   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0717    0.9879   -0.2276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4318    2.1312    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084    3.0722    0.4881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5219    2.4970    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8004    2.9588    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9058    4.1453    1.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8370    2.1152    0.6171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7056    0.8480    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8246   -0.0201    0.0377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4629    0.4050   -0.1184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3915    1.1997    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9014   -1.4268    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2420   -2.4724   -0.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410   -1.7002    0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8844   -2.6919    0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7891   -1.5019    0.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850   -2.3223   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5106   -3.0918    1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3508   -2.4148   -1.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9385    3.0952   -0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688    3.5575   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420    3.7034   -1.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7888   -0.9995   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3238   -1.0941    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909   -2.3905   -1.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1444   -1.0901   -3.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -1.4472   -1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    0.5198   -2.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9607    1.3461   -2.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5017    0.9747    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822    2.1449   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576    0.2427   -1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568   -0.6864    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942   -1.3715    0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3152    0.4087    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7629   -0.4339   -1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574    2.3277   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7867    2.4704    0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4247    0.0947   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9869   -0.7269    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7461   -1.1309    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7457   -3.1925   -0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -1.9420    1.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373   -3.3679   -0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678   -1.3840    1.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1134   -2.3983    1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7713   -3.6645    1.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1854   -3.8679    0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 18 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 32 16  1  0
 29 19  1  0
 29 22  2  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 18 54  1  0
 20 55  1  0
 25 56  1  0
 27 57  1  0
 27 58  1  0
 30 59  1  0
 31 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
 36 64  1  0
 36 65  1  0
 36 66  1  0
M  CHG  1  13  -1
M  END


  Mrv1533005141521452D          

 37 39  0  0  0  0            999 V2000
    9.2910    2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    1.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2910    1.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285    1.9913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    0.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410   -0.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5285   -0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7660    1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1785    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0035    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4160   -0.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2410   -0.1521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6535   -0.8666    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.9390   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3679   -0.4541    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.0660   -1.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8910   -1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3035   -2.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1239   -2.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2955   -3.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5810   -3.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4948   -4.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9679   -3.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1609   -3.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0492   -3.5243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7636   -3.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3767   -3.6638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0412   -4.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3767   -5.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1972   -5.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8918   -5.8386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0713   -5.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5864   -6.4198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7358   -4.9987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2207   -4.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 25  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 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
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 30 37  2  0  0  0  0
 27 37  1  0  0  0  0
M  CHG  1  17  -1
M  END
> <DATABASE_ID>
HMDB0304375

> <DATABASE_NAME>
hmdb

> <SMILES>
COC(=O)C(CCCCNP([O-])(=O)OCC1OC(C(O)C1O)N1C=NC2=C1N=C(N)NC2=O)NC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H30N7O10P/c1-9(27)23-10(18(31)34-2)5-3-4-6-22-37(32,33)35-7-11-13(28)14(29)17(36-11)26-8-21-12-15(26)24-19(20)25-16(12)30/h8,10-11,13-14,17,28-29H,3-7H2,1-2H3,(H,23,27)(H2,22,32,33)(H3,20,24,25,30)/p-1

> <INCHI_KEY>
CFNHKQLBSCCNGG-UHFFFAOYSA-M

> <FORMULA>
C19H29N7O10P

> <MOLECULAR_WEIGHT>
546.454

> <EXACT_MASS>
546.17190074

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
52.022622246130695

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[(5-acetamido-6-methoxy-6-oxohexyl)amino]phosphinate

> <ALOGPS_LOGP>
-1.06

> <JCHEM_LOGP>
-3.3013965873333326

> <ALOGPS_LOGS>
-2.40

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.153921513230673

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.562100529539964

> <JCHEM_PKA_STRONGEST_BASIC>
0.4409361948509943

> <JCHEM_POLAR_SURFACE_AREA>
251.78000000000003

> <JCHEM_REFRACTIVITY>
122.908

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(5-acetamido-6-methoxy-6-oxohexyl)aminophosphinate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0304375
     RDKit          3D
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate
 66 68  0  0  0  0  0  0  0  0999 V2000
    6.2486    3.0957   -1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856    1.7563   -1.4979 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055    0.6939   -0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790    1.0608    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1828   -0.7395   -0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8008   -1.2424   -1.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8296   -0.7924   -2.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638    0.5996   -2.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691    1.0940   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    0.2177   -0.4980 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.6253    0.9738 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1684   -0.3497    2.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    2.1786    1.5285 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8202    0.6707    0.6943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321   -0.5269    1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108   -0.3790    0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1002   -0.1270   -0.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801   -0.2515   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0717    0.9879   -0.2276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4318    2.1312    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084    3.0722    0.4881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5219    2.4970    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8004    2.9588    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9058    4.1453    1.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8370    2.1152    0.6171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7056    0.8480    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8246   -0.0201    0.0377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4629    0.4050   -0.1184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3915    1.1997    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9014   -1.4268    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2420   -2.4724   -0.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410   -1.7002    0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8844   -2.6919    0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7891   -1.5019    0.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850   -2.3223   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5106   -3.0918    1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3508   -2.4148   -1.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9385    3.0952   -0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688    3.5575   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420    3.7034   -1.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7888   -0.9995   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3238   -1.0941    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909   -2.3905   -1.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1444   -1.0901   -3.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -1.4472   -1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    0.5198   -2.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9607    1.3461   -2.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5017    0.9747    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822    2.1449   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576    0.2427   -1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568   -0.6864    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942   -1.3715    0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3152    0.4087    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7629   -0.4339   -1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574    2.3277   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7867    2.4704    0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4247    0.0947   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9869   -0.7269    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7461   -1.1309    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7457   -3.1925   -0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -1.9420    1.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373   -3.3679   -0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678   -1.3840    1.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1134   -2.3983    1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7713   -3.6645    1.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1854   -3.8679    0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 18 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 32 16  1  0
 29 19  1  0
 29 22  2  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 18 54  1  0
 20 55  1  0
 25 56  1  0
 27 57  1  0
 27 58  1  0
 30 59  1  0
 31 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
 36 64  1  0
 36 65  1  0
 36 66  1  0
M  CHG  1  13  -1
M  END

HEADER    PROTEIN                                 14-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-MAY-15         0                                  
HETATM    1  C   UNK     0      17.343   5.051   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.113   3.717   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      17.343   2.383   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      19.653   3.717   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      20.423   2.383   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      19.653   1.050   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      18.113   1.050   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      20.423  -0.284   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      19.653  -1.618   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      21.963   2.383   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      22.733   1.050   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      24.273   1.050   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      25.043  -0.284   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      26.583  -0.284   0.000  0.00  0.00           N+0
HETATM   15  P   UNK     0      27.353  -1.618   0.000  0.00  0.00           P+0
HETATM   16  O   UNK     0      26.019  -2.388   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      28.687  -0.848   0.000  0.00  0.00           O-1
HETATM   18  O   UNK     0      28.123  -2.951   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      29.663  -2.951   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      30.433  -4.285   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      31.965  -4.446   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      32.285  -5.952   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      30.951  -6.722   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      30.790  -8.254   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      29.807  -5.692   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      28.300  -6.012   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0      33.692  -6.579   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      35.025  -5.809   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      36.170  -6.839   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      35.543  -8.246   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      36.170  -9.653   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      37.701  -9.814   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0      35.265 -10.899   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      33.733 -10.738   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0      32.828 -11.984   0.000  0.00  0.00           N+0
HETATM   36  N   UNK     0      33.107  -9.331   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      34.012  -8.085   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8                                                            
CONECT   10    5   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   20                                                  
CONECT   26   25                                                            
CONECT   27   22   28   37                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   37                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   30   27                                                  
MASTER        0    0    0    0    0    0    0    0   37    0   78    0
END

COMPND    HMDB0304375
HETATM    1  C1  UNL     1       6.249   3.096  -1.085  1.00  0.00           C  
HETATM    2  O1  UNL     1       6.086   1.756  -1.498  1.00  0.00           O  
HETATM    3  C2  UNL     1       6.306   0.694  -0.666  1.00  0.00           C  
HETATM    4  O2  UNL     1       6.679   1.061   0.533  1.00  0.00           O  
HETATM    5  C3  UNL     1       6.183  -0.739  -0.959  1.00  0.00           C  
HETATM    6  C4  UNL     1       4.801  -1.242  -1.034  1.00  0.00           C  
HETATM    7  C5  UNL     1       3.830  -0.792  -2.015  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.364   0.600  -2.107  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.769   1.094  -0.789  1.00  0.00           C  
HETATM   10  N1  UNL     1       1.647   0.218  -0.498  1.00  0.00           N  
HETATM   11  P1  UNL     1       0.845   0.625   0.974  1.00  0.00           P  
HETATM   12  O3  UNL     1       1.168  -0.350   2.091  1.00  0.00           O  
HETATM   13  O4  UNL     1       1.287   2.179   1.528  1.00  0.00           O1-
HETATM   14  O5  UNL     1      -0.820   0.671   0.694  1.00  0.00           O  
HETATM   15  C8  UNL     1      -1.432  -0.527   1.062  1.00  0.00           C  
HETATM   16  C9  UNL     1      -2.911  -0.379   0.775  1.00  0.00           C  
HETATM   17  O6  UNL     1      -3.100  -0.127  -0.583  1.00  0.00           O  
HETATM   18  C10 UNL     1      -4.480  -0.252  -0.712  1.00  0.00           C  
HETATM   19  N2  UNL     1      -5.072   0.988  -0.228  1.00  0.00           N  
HETATM   20  C11 UNL     1      -4.432   2.131   0.068  1.00  0.00           C  
HETATM   21  N3  UNL     1      -5.308   3.072   0.488  1.00  0.00           N  
HETATM   22  C12 UNL     1      -6.522   2.497   0.452  1.00  0.00           C  
HETATM   23  C13 UNL     1      -7.800   2.959   0.765  1.00  0.00           C  
HETATM   24  O7  UNL     1      -7.906   4.145   1.168  1.00  0.00           O  
HETATM   25  N4  UNL     1      -8.837   2.115   0.617  1.00  0.00           N  
HETATM   26  C14 UNL     1      -8.706   0.848   0.184  1.00  0.00           C  
HETATM   27  N5  UNL     1      -9.825  -0.020   0.038  1.00  0.00           N  
HETATM   28  N6  UNL     1      -7.463   0.405  -0.118  1.00  0.00           N  
HETATM   29  C15 UNL     1      -6.392   1.200   0.008  1.00  0.00           C  
HETATM   30  C16 UNL     1      -4.901  -1.427   0.149  1.00  0.00           C  
HETATM   31  O8  UNL     1      -5.242  -2.472  -0.685  1.00  0.00           O  
HETATM   32  C17 UNL     1      -3.641  -1.700   0.942  1.00  0.00           C  
HETATM   33  O9  UNL     1      -2.884  -2.692   0.324  1.00  0.00           O  
HETATM   34  N7  UNL     1       6.789  -1.502   0.177  1.00  0.00           N  
HETATM   35  C18 UNL     1       7.885  -2.322  -0.087  1.00  0.00           C  
HETATM   36  C19 UNL     1       8.511  -3.092   1.016  1.00  0.00           C  
HETATM   37  O10 UNL     1       8.351  -2.415  -1.265  1.00  0.00           O  
HETATM   38  H1  UNL     1       6.938   3.095  -0.212  1.00  0.00           H  
HETATM   39  H2  UNL     1       5.269   3.558  -0.797  1.00  0.00           H  
HETATM   40  H3  UNL     1       6.642   3.703  -1.938  1.00  0.00           H  
HETATM   41  H4  UNL     1       6.789  -0.999  -1.865  1.00  0.00           H  
HETATM   42  H5  UNL     1       4.324  -1.094   0.003  1.00  0.00           H  
HETATM   43  H6  UNL     1       4.891  -2.391  -1.053  1.00  0.00           H  
HETATM   44  H7  UNL     1       4.144  -1.090  -3.091  1.00  0.00           H  
HETATM   45  H8  UNL     1       2.878  -1.447  -1.935  1.00  0.00           H  
HETATM   46  H9  UNL     1       2.372   0.520  -2.754  1.00  0.00           H  
HETATM   47  H10 UNL     1       3.961   1.346  -2.598  1.00  0.00           H  
HETATM   48  H11 UNL     1       3.502   0.975   0.011  1.00  0.00           H  
HETATM   49  H12 UNL     1       2.482   2.145  -0.888  1.00  0.00           H  
HETATM   50  H13 UNL     1       0.958   0.243  -1.280  1.00  0.00           H  
HETATM   51  H14 UNL     1      -1.257  -0.686   2.135  1.00  0.00           H  
HETATM   52  H15 UNL     1      -0.994  -1.372   0.502  1.00  0.00           H  
HETATM   53  H16 UNL     1      -3.315   0.409   1.433  1.00  0.00           H  
HETATM   54  H17 UNL     1      -4.763  -0.434  -1.782  1.00  0.00           H  
HETATM   55  H18 UNL     1      -3.357   2.328  -0.003  1.00  0.00           H  
HETATM   56  H19 UNL     1      -9.787   2.470   0.853  1.00  0.00           H  
HETATM   57  H20 UNL     1     -10.425   0.095  -0.808  1.00  0.00           H  
HETATM   58  H21 UNL     1      -9.987  -0.727   0.783  1.00  0.00           H  
HETATM   59  H22 UNL     1      -5.746  -1.131   0.811  1.00  0.00           H  
HETATM   60  H23 UNL     1      -5.746  -3.193  -0.226  1.00  0.00           H  
HETATM   61  H24 UNL     1      -3.848  -1.942   1.998  1.00  0.00           H  
HETATM   62  H25 UNL     1      -3.437  -3.368  -0.124  1.00  0.00           H  
HETATM   63  H26 UNL     1       6.368  -1.384   1.101  1.00  0.00           H  
HETATM   64  H27 UNL     1       9.113  -2.398   1.663  1.00  0.00           H  
HETATM   65  H28 UNL     1       7.771  -3.665   1.611  1.00  0.00           H  
HETATM   66  H29 UNL     1       9.185  -3.868   0.564  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3
CONECT    3    4    4    5
CONECT    5    6   34   41
CONECT    6    7   42   43
CONECT    7    8   44   45
CONECT    8    9   46   47
CONECT    9   10   48   49
CONECT   10   11   50
CONECT   11   12   12   13   14
CONECT   14   15
CONECT   15   16   51   52
CONECT   16   17   32   53
CONECT   17   18
CONECT   18   19   30   54
CONECT   19   20   29
CONECT   20   21   21   55
CONECT   21   22
CONECT   22   23   29   29
CONECT   23   24   24   25
CONECT   25   26   56
CONECT   26   27   28   28
CONECT   27   57   58
CONECT   28   29
CONECT   30   31   32   59
CONECT   31   60
CONECT   32   33   61
CONECT   33   62
CONECT   34   35   63
CONECT   35   36   37   37
CONECT   36   64   65   66
END

HMDB0304375
     RDKit          3D
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate
 66 68  0  0  0  0  0  0  0  0999 V2000
    6.2486    3.0957   -1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856    1.7563   -1.4979 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055    0.6939   -0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790    1.0608    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1828   -0.7395   -0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8008   -1.2424   -1.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8296   -0.7924   -2.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638    0.5996   -2.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691    1.0940   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    0.2177   -0.4980 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.6253    0.9738 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1684   -0.3497    2.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    2.1786    1.5285 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8202    0.6707    0.6943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321   -0.5269    1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108   -0.3790    0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1002   -0.1270   -0.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801   -0.2515   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0717    0.9879   -0.2276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4318    2.1312    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084    3.0722    0.4881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5219    2.4970    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8004    2.9588    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9058    4.1453    1.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8370    2.1152    0.6171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7056    0.8480    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8246   -0.0201    0.0377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4629    0.4050   -0.1184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3915    1.1997    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9014   -1.4268    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2420   -2.4724   -0.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410   -1.7002    0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8844   -2.6919    0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7891   -1.5019    0.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850   -2.3223   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5106   -3.0918    1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3508   -2.4148   -1.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9385    3.0952   -0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688    3.5575   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420    3.7034   -1.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7888   -0.9995   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3238   -1.0941    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909   -2.3905   -1.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1444   -1.0901   -3.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -1.4472   -1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    0.5198   -2.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9607    1.3461   -2.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5017    0.9747    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822    2.1449   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576    0.2427   -1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568   -0.6864    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942   -1.3715    0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3152    0.4087    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7629   -0.4339   -1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574    2.3277   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7867    2.4704    0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4247    0.0947   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9869   -0.7269    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7461   -1.1309    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7457   -3.1925   -0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -1.9420    1.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373   -3.3679   -0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678   -1.3840    1.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1134   -2.3983    1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7713   -3.6645    1.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1854   -3.8679    0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 18 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 32 16  1  0
 29 19  1  0
 29 22  2  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 18 54  1  0
 20 55  1  0
 25 56  1  0
 27 57  1  0
 27 58  1  0
 30 59  1  0
 31 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
 36 64  1  0
 36 65  1  0
 36 66  1  0
M  CHG  1  13  -1
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
N-{6-[({[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino]-1-methoxy-1-oxohexan-2-yl}ethanecarboximidic acid	Generator
GMP-N-Ε-(N-α-acetyl lysine methyl ester) 5'-phosphoramidic acid	Generator

Chemical Formula

C₁₉H₂₉N₇O₁₀P

Average Molecular Weight

546.454

Monoisotopic Molecular Weight

546.17190074

IUPAC Name

{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[(5-acetamido-6-methoxy-6-oxohexyl)amino]phosphinate

Traditional Name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(5-acetamido-6-methoxy-6-oxohexyl)aminophosphinate

CAS Registry Number

Not Available

SMILES

COC(=O)C(CCCCNP([O-])(=O)OCC1OC(C(O)C1O)N1C=NC2=C1N=C(N)NC2=O)NC(C)=O

InChI Identifier

InChI=1S/C19H30N7O10P/c1-9(27)23-10(18(31)34-2)5-3-4-6-22-37(32,33)35-7-11-13(28)14(29)17(36-11)26-8-21-12-15(26)24-19(20)25-16(12)30/h8,10-11,13-14,17,28-29H,3-7H2,1-2H3,(H,23,27)(H2,22,32,33)(H3,20,24,25,30)/p-1

InChI Key

CFNHKQLBSCCNGG-UHFFFAOYSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid ester
N-acyl-alpha amino acid or derivatives
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Pentose monosaccharide
Imidazopyrimidine
Purine
Aminopyrimidine
Phosphoric monoester monoamide
Fatty acid ester
Pyrimidone
Organic phosphoric acid derivative
N-substituted imidazole
Fatty acyl
Monosaccharide
Organic phosphoric acid amide
Phosphoric acid ester
Pyrimidine
Imidazole
Tetrahydrofuran
Methyl ester
Azole
Vinylogous amide
Acetamide
Heteroaromatic compound
Carboxamide group
Carboxylic acid ester
Secondary carboxylic acid amide
1,2-diol
Secondary alcohol
Lactam
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Azacycle
Oxacycle
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Organopnictogen compound
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Amine
Primary amine
Alcohol
Organic oxide
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

a small molecule (GMP-LYSINE-PHOSPHORAMIDATE )

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.1	ALOGPS
logP	-3.3	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	2.56	ChemAxon
pKa (Strongest Basic)	0.44	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	251.78 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	122.91 m³·mol⁻¹	ChemAxon
Polarizability	52.02 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	216.155	32859911
AllCCS	[M+H-H2O]+	214.798	32859911
AllCCS	[M+Na]+	217.723	32859911
AllCCS	[M+NH4]+	217.378	32859911
AllCCS	[M-H]-	214.416	32859911
AllCCS	[M+Na-2H]-	215.297	32859911
AllCCS	[M+HCOO]-	216.414	32859911
DeepCCS	[M+H]+	209.274	30932474
DeepCCS	[M-H]-	206.878	30932474
DeepCCS	[M-2H]-	240.006	30932474
DeepCCS	[M+Na]+	215.19	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #1	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4100.2	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #1	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4056.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #1	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	6485.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4026.5	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4198.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	6699.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4045.4	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4145.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	7016.1	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #12	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4154.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #12	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4213.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #12	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	6500.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4171.2	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4157.8	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	6588.4	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #14	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4112.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #14	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4272.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #14	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	6513.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #15	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4054.6	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #15	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4171.0	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #15	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6621.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4160.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4176.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	6867.3	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4032.6	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4178.7	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6687.1	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4051.5	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4126.0	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	7003.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #19	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	4250.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #19	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	4337.7	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #19	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	6568.6	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #2	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4070.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #2	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4090.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #2	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	6615.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #20	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)NC(C)=O	4190.1	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #20	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)NC(C)=O	4441.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #20	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)NC(C)=O	6502.8	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4115.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4338.8	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	6596.8	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #22	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	4194.7	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #22	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	4409.7	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #22	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	6656.5	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #23	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4126.5	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #23	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4299.4	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #23	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	6705.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #24	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4083.6	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #24	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4416.6	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #24	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	6643.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #25	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4101.4	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #25	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4297.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #25	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	6979.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4121.6	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4027.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	6926.1	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	3978.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4028.4	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6734.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4151.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4235.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	6510.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #6	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4171.6	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #6	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4179.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #6	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	6599.5	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4110.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4295.8	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	6525.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #8	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4051.4	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #8	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4192.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #8	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	6631.4	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4153.7	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4196.7	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	6880.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #1	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4120.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #1	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4132.5	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #1	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	6006.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4085.5	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4245.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	6141.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4144.2	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4319.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	6073.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #12	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4091.1	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #12	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4204.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #12	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	6167.3	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4046.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4328.8	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	6076.1	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #14	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4085.2	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #14	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	4214.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #14	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C	6585.3	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #15	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4204.5	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #15	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4217.8	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #15	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	6090.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4152.2	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4328.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	6006.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4088.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4222.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6131.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4145.7	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	4298.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)NC(C)=O	6063.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #19	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4095.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #19	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4183.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #19	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6156.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #2	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4137.5	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #2	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4079.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #2	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	6016.5	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #20	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4050.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #20	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4307.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #20	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6066.3	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4089.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4190.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6572.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #22	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	4236.4	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #22	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	4458.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #22	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)NC(C)=O	6122.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #23	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4166.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #23	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4346.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #23	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	6202.4	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #24	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4146.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #24	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4451.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #24	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	6127.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #25	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4120.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #25	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	4444.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #25	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C	6202.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4083.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4191.7	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	5921.3	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4026.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4087.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6059.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4120.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	4109.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)NC(C)=O	6500.1	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #6	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	3999.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #6	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4106.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #6	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6321.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4036.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	4054.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N(C(C)=O)[Si](C)(C)C	6598.6	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #8	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4199.6	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #8	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4240.8	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #8	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C)N([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	6100.3	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4147.1	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	4352.5	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,4TMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C(O[Si](C)(C)C)C1O)NC(C)=O	6016.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #1	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4648.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #1	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4608.8	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #1	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	6261.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4632.2	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4678.0	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #10	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	6569.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4643.6	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4663.4	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #11	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	6758.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #12	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4724.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #12	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4726.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #12	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	6333.8	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4747.1	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4705.0	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #13	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	6282.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #14	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4655.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #14	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4776.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #14	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	6220.5	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #15	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	4604.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #15	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	4712.0	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #15	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	6357.5	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4760.7	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4668.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #16	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	6675.1	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	4642.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	4656.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #17	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	6557.4	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	4647.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	4643.2	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #18	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	6746.5	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #19	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)NC(C)=O	4831.7	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #19	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)NC(C)=O	4828.4	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #19	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)NC(C)=O	6358.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #2	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4668.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #2	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4582.7	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #2	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	6501.5	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #20	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)NC(C)=O	4743.9	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #20	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)NC(C)=O	4892.3	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #20	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)NC(C)=O	6301.5	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4669.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4817.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #21	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	6431.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #22	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)NC(C)=O	4746.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #22	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)NC(C)=O	4885.6	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #22	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)NC(C)=O	6313.3	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #23	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4700.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #23	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4818.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #23	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	6388.6	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #24	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4620.5	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #24	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4889.0	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #24	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	6328.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #25	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4717.4	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #25	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4762.0	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #25	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	6765.2	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4708.2	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	4559.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #3	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)NC(C)=O	6690.9	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	4562.4	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	4545.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #4	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N(C(C)=O)[Si](C)(C)C(C)(C)C	6564.0	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	4720.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	4748.9	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #5	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	6342.8	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #6	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	4745.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #6	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	4724.8	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #6	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	6292.6	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	4649.8	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	4796.7	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #7	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	6229.8	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #8	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4599.3	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #8	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	4733.1	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #8	COC(=O)C(CCCCNP(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N[Si](C)(C)C(C)(C)C)[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)N(C(C)=O)[Si](C)(C)C(C)(C)C	6366.7	Standard polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	4754.0	Semi standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	4689.6	Standard non polar	33892256
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate,3TBDMS,isomer #9	COC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)P(=O)([O-])OCC1OC(N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O)NC(C)=O	6687.9	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate 10V, Negative-QTOF	splash10-0w4j-0420390000-28ef42c9f19ec9e529ed	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate 20V, Negative-QTOF	splash10-0udi-0920110000-cb932dfd0a7605bdfb42	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate 40V, Negative-QTOF	splash10-0pdi-9750000000-5a4379fae6c7200fc8db	2019-02-23	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030897

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate (HMDB0304375)

MOL for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

3D MOL for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

3D SDF for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

3D-SDF for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

PDB for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

3D PDB for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

SMILES for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

INCHI for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

Structure for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

3D Structure for HMDB0304375 (GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra