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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 04:01:33 UTC

Update Date

2021-09-24 04:01:33 UTC

HMDB ID

HMDB0303709

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Cyclo(glycylleucylvalylleucylprolylseryl)

Description

Cyclo(glycylleucylvalylleucylprolylseryl) belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Cyclo(glycylleucylvalylleucylprolylseryl).

Structure

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


  Mrv1533004251503442D          

 40 41  0  0  0  0            999 V2000
   10.6989   -2.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -2.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4861   -2.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382   -1.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137   -1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1775   -0.7863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5659   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3904   -0.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1297    0.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3051    0.6143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689    1.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    2.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444    1.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6082    1.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9966    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6561    0.5590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8315    0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953    1.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424   -0.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5837   -1.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345   -1.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793   -0.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4910   -1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -1.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388   -3.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -3.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259   -3.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2781   -2.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7517   -2.2973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1879   -2.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7996   -3.7254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124   -2.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4008   -2.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2253   -2.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615   -2.9147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4486   -3.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2732   -3.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0603   -4.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  2  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END

HMDB0303709
     RDKit          3D
Cyclo(glycylleucylvalylleucylprolylseryl)
 86 87  0  0  0  0  0  0  0  0999 V2000
    5.4785    1.1913    1.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060    0.0797    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245   -0.1000   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534    0.3969   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498    0.6365    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.9347   -0.7659 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    2.2557   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572    2.5020   -2.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5787    3.4531   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7742    4.5465   -0.8140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6196    4.5708   -0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146    4.9108   -2.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6321    4.2476    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9488    5.6175    0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200    5.5318    1.6957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725    3.3367    1.1132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    1.9507    1.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    1.2311    1.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203    1.1783    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8908    1.9423    0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5245    1.8278   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4303    1.2065   -1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    0.4289   -0.3060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073   -0.7625   -0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774   -0.9310   -1.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122   -1.8930    0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362   -2.3562    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0193   -2.7892   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4021   -3.2138    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003   -3.9149   -1.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -2.9641    0.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2368   -3.0041   -0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2405   -3.5983   -1.7821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -2.4539   -0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -3.7118    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378   -4.4475    1.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200   -3.4173    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5594   -1.5694    0.8658 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797   -0.4724    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8935   -0.3984    2.2952 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    1.5027    1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127    0.8835    2.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8773    2.0931    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9971   -0.8653    0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4204    0.7678   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2509   -1.0300   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3581   -0.1058    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9051   -0.4930   -1.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212    1.2436   -1.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291    1.5902    0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    0.1699   -1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3745    3.1674    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    3.7310   -0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    5.4310   -1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388    3.8890   -0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    5.9729    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    6.3321   -0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8372    5.6666    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    3.8440    1.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806    0.4241    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8283    2.9804    1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6468    1.4569    1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4147    1.1670   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7790    2.8605   -0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7783    1.9315   -1.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9262    0.6073   -1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860   -1.4163    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7421   -1.6640    1.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -3.2865    1.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166   -1.9470   -1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0895   -3.3831   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -4.1818    0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -2.4214    0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054   -4.8471   -0.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1246   -4.1655   -1.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804   -3.6281   -1.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -3.9420    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -2.0308   -1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2769   -5.4100    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -3.8616    1.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221   -2.7437   -0.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9956   -3.0033    1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839   -4.3733    0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278   -1.7982    1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 26 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 34 38  1  0
 38 39  1  0
 39 40  2  0
 39  5  1  0
 23 19  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  3 45  1  0
  3 46  1  0
  3 47  1  0
  4 48  1  0
  4 49  1  0
  5 50  1  0
  6 51  1  0
  9 52  1  0
  9 53  1  0
 10 54  1  0
 13 55  1  0
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 15 58  1  0
 16 59  1  0
 19 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
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 22 65  1  0
 22 66  1  0
 26 67  1  0
 27 68  1  0
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 28 70  1  0
 29 71  1  0
 29 72  1  0
 29 73  1  0
 30 74  1  0
 30 75  1  0
 30 76  1  0
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 34 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 36 82  1  0
 37 83  1  0
 37 84  1  0
 37 85  1  0
 38 86  1  0
M  END


  Mrv1533004251503442D          

 40 41  0  0  0  0            999 V2000
   10.6989   -2.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -2.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4382   -1.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137   -1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1775   -0.7863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5659   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3904   -0.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1297    0.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3051    0.6143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689    1.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    2.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444    1.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6082    1.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9966    2.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6561    0.5590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8315    0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953    1.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4910   -1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -1.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388   -3.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -3.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259   -3.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2781   -2.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7517   -2.2973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1879   -2.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7996   -3.7254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124   -2.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4008   -2.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2253   -2.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615   -2.9147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4486   -3.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2732   -3.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0603   -4.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  2  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303709

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(NC1=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C27H46N6O7/c1-14(2)10-17-24(37)32-22(16(5)6)26(39)30-18(11-15(3)4)27(40)33-9-7-8-20(33)25(38)31-19(13-34)23(36)28-12-21(35)29-17/h14-20,22,34H,7-13H2,1-6H3,(H,28,36)(H,29,35)(H,30,39)(H,31,38)(H,32,37)

> <INCHI_KEY>
AGPIOXWTGKGPPK-UHFFFAOYSA-N

> <FORMULA>
C27H46N6O7

> <MOLECULAR_WEIGHT>
566.7

> <EXACT_MASS>
566.342797845

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
59.89627151690706

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(hydroxymethyl)-9,15-bis(2-methylpropyl)-12-(propan-2-yl)-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone

> <ALOGPS_LOGP>
-0.03

> <JCHEM_LOGP>
-1.1664070813333334

> <ALOGPS_LOGS>
-2.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.801773504323807

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.364972856449864

> <JCHEM_PKA_STRONGEST_BASIC>
-2.844393992830912

> <JCHEM_POLAR_SURFACE_AREA>
186.04

> <JCHEM_REFRACTIVITY>
144.8661

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.98e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(hydroxymethyl)-12-isopropyl-9,15-bis(2-methylpropyl)-tetradecahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0303709
     RDKit          3D
Cyclo(glycylleucylvalylleucylprolylseryl)
 86 87  0  0  0  0  0  0  0  0999 V2000
    5.4785    1.1913    1.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060    0.0797    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245   -0.1000   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534    0.3969   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498    0.6365    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.9347   -0.7659 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    2.2557   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572    2.5020   -2.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5787    3.4531   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7742    4.5465   -0.8140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6196    4.5708   -0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146    4.9108   -2.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6321    4.2476    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9488    5.6175    0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200    5.5318    1.6957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725    3.3367    1.1132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    1.9507    1.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    1.2311    1.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203    1.1783    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8908    1.9423    0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5245    1.8278   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4303    1.2065   -1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    0.4289   -0.3060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073   -0.7625   -0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774   -0.9310   -1.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122   -1.8930    0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362   -2.3562    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0193   -2.7892   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4021   -3.2138    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003   -3.9149   -1.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -2.9641    0.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2368   -3.0041   -0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2405   -3.5983   -1.7821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -2.4539   -0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -3.7118    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378   -4.4475    1.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200   -3.4173    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5594   -1.5694    0.8658 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797   -0.4724    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8935   -0.3984    2.2952 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    1.5027    1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127    0.8835    2.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8773    2.0931    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9971   -0.8653    0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4204    0.7678   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2509   -1.0300   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3581   -0.1058    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9051   -0.4930   -1.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212    1.2436   -1.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291    1.5902    0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    0.1699   -1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3745    3.1674    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    3.7310   -0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    5.4310   -1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388    3.8890   -0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    5.9729    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    6.3321   -0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8372    5.6666    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    3.8440    1.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806    0.4241    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8283    2.9804    1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6468    1.4569    1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4147    1.1670   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7790    2.8605   -0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7783    1.9315   -1.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9262    0.6073   -1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860   -1.4163    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7421   -1.6640    1.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -3.2865    1.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166   -1.9470   -1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0895   -3.3831   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -4.1818    0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -2.4214    0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054   -4.8471   -0.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1246   -4.1655   -1.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804   -3.6281   -1.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -3.9420    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -2.0308   -1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174   -4.3616   -0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.7326    2.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769   -5.4100    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -3.8616    1.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221   -2.7437   -0.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9956   -3.0033    1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839   -4.3733    0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278   -1.7982    1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 26 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 34 38  1  0
 38 39  1  0
 39 40  2  0
 39  5  1  0
 23 19  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  3 45  1  0
  3 46  1  0
  3 47  1  0
  4 48  1  0
  4 49  1  0
  5 50  1  0
  6 51  1  0
  9 52  1  0
  9 53  1  0
 10 54  1  0
 13 55  1  0
 14 56  1  0
 14 57  1  0
 15 58  1  0
 16 59  1  0
 19 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 26 67  1  0
 27 68  1  0
 27 69  1  0
 28 70  1  0
 29 71  1  0
 29 72  1  0
 29 73  1  0
 30 74  1  0
 30 75  1  0
 30 76  1  0
 31 77  1  0
 34 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 36 82  1  0
 37 83  1  0
 37 84  1  0
 37 85  1  0
 38 86  1  0
M  END

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      19.971  -3.979   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.432  -4.030   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.707  -5.389   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.618  -2.723   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.079  -2.775   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      15.265  -1.468   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      15.990  -0.109   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      17.529  -0.057   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      15.175   1.198   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      13.636   1.147   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      12.822   2.454   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.547   3.812   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      11.283   2.402   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.469   3.709   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      11.194   5.068   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      10.558   1.044   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       9.019   0.992   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.205   2.299   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.294  -0.367   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.799  -0.737   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.690  -2.273   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.904  -2.803   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       9.108  -1.674   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       8.383  -3.033   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       6.844  -3.084   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.197  -4.340   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.472  -5.698   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.933  -5.750   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.208  -7.109   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.119  -4.443   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      10.737  -4.288   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      11.551  -5.595   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.826  -6.954   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      13.090  -5.544   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0      13.815  -4.185   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      15.354  -4.134   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      16.168  -5.441   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      13.904  -6.851   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      15.443  -6.799   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      13.179  -8.210   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   36                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   19   24                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   26   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   38                                                  
CONECT   35   34   36                                                       
CONECT   36   35    5   37                                                  
CONECT   37   36                                                            
CONECT   38   34   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

COMPND    HMDB0303709
HETATM    1  C1  UNL     1       5.478   1.191   1.389  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.206   0.080   0.419  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.424  -0.100  -0.475  1.00  0.00           C  
HETATM    4  C4  UNL     1       4.053   0.397  -0.508  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.750   0.636   0.223  1.00  0.00           C  
HETATM    6  N1  UNL     1       1.742   0.935  -0.766  1.00  0.00           N  
HETATM    7  C6  UNL     1       1.485   2.256  -1.211  1.00  0.00           C  
HETATM    8  O1  UNL     1       1.157   2.502  -2.409  1.00  0.00           O  
HETATM    9  C7  UNL     1       1.579   3.453  -0.314  1.00  0.00           C  
HETATM   10  N2  UNL     1       0.774   4.547  -0.814  1.00  0.00           N  
HETATM   11  C8  UNL     1      -0.620   4.571  -0.943  1.00  0.00           C  
HETATM   12  O2  UNL     1      -1.115   4.911  -2.078  1.00  0.00           O  
HETATM   13  C9  UNL     1      -1.632   4.248   0.090  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.949   5.618   0.733  1.00  0.00           C  
HETATM   15  O3  UNL     1      -2.920   5.532   1.696  1.00  0.00           O  
HETATM   16  N3  UNL     1      -1.172   3.337   1.113  1.00  0.00           N  
HETATM   17  C11 UNL     1      -1.390   1.951   1.187  1.00  0.00           C  
HETATM   18  O4  UNL     1      -0.372   1.231   1.502  1.00  0.00           O  
HETATM   19  C12 UNL     1      -2.620   1.178   0.960  1.00  0.00           C  
HETATM   20  C13 UNL     1      -3.891   1.942   0.981  1.00  0.00           C  
HETATM   21  C14 UNL     1      -4.525   1.828  -0.391  1.00  0.00           C  
HETATM   22  C15 UNL     1      -3.430   1.206  -1.206  1.00  0.00           C  
HETATM   23  N4  UNL     1      -2.602   0.429  -0.306  1.00  0.00           N  
HETATM   24  C16 UNL     1      -1.907  -0.762  -0.497  1.00  0.00           C  
HETATM   25  O5  UNL     1      -1.277  -0.931  -1.600  1.00  0.00           O  
HETATM   26  C17 UNL     1      -1.812  -1.893   0.461  1.00  0.00           C  
HETATM   27  C18 UNL     1      -3.236  -2.356   0.810  1.00  0.00           C  
HETATM   28  C19 UNL     1      -4.019  -2.789  -0.371  1.00  0.00           C  
HETATM   29  C20 UNL     1      -5.402  -3.214   0.135  1.00  0.00           C  
HETATM   30  C21 UNL     1      -3.400  -3.915  -1.124  1.00  0.00           C  
HETATM   31  N5  UNL     1      -0.970  -2.964   0.078  1.00  0.00           N  
HETATM   32  C22 UNL     1       0.237  -3.004  -0.634  1.00  0.00           C  
HETATM   33  O6  UNL     1       0.241  -3.598  -1.782  1.00  0.00           O  
HETATM   34  C23 UNL     1       1.560  -2.454  -0.259  1.00  0.00           C  
HETATM   35  C24 UNL     1       2.388  -3.712   0.109  1.00  0.00           C  
HETATM   36  C25 UNL     1       1.738  -4.448   1.251  1.00  0.00           C  
HETATM   37  C26 UNL     1       3.820  -3.417   0.352  1.00  0.00           C  
HETATM   38  N6  UNL     1       1.559  -1.569   0.866  1.00  0.00           N  
HETATM   39  C27 UNL     1       2.380  -0.472   1.121  1.00  0.00           C  
HETATM   40  O7  UNL     1       2.894  -0.398   2.295  1.00  0.00           O  
HETATM   41  H1  UNL     1       6.538   1.503   1.315  1.00  0.00           H  
HETATM   42  H2  UNL     1       5.313   0.884   2.451  1.00  0.00           H  
HETATM   43  H3  UNL     1       4.877   2.093   1.143  1.00  0.00           H  
HETATM   44  H4  UNL     1       4.997  -0.865   0.973  1.00  0.00           H  
HETATM   45  H5  UNL     1       6.420   0.768  -1.189  1.00  0.00           H  
HETATM   46  H6  UNL     1       6.251  -1.030  -1.045  1.00  0.00           H  
HETATM   47  H7  UNL     1       7.358  -0.106   0.121  1.00  0.00           H  
HETATM   48  H8  UNL     1       3.905  -0.493  -1.152  1.00  0.00           H  
HETATM   49  H9  UNL     1       4.321   1.244  -1.164  1.00  0.00           H  
HETATM   50  H10 UNL     1       2.929   1.590   0.810  1.00  0.00           H  
HETATM   51  H11 UNL     1       1.178   0.170  -1.173  1.00  0.00           H  
HETATM   52  H12 UNL     1       1.375   3.167   0.713  1.00  0.00           H  
HETATM   53  H13 UNL     1       2.655   3.731  -0.344  1.00  0.00           H  
HETATM   54  H14 UNL     1       1.292   5.431  -1.120  1.00  0.00           H  
HETATM   55  H15 UNL     1      -2.539   3.889  -0.423  1.00  0.00           H  
HETATM   56  H16 UNL     1      -1.012   5.973   1.235  1.00  0.00           H  
HETATM   57  H17 UNL     1      -2.187   6.332  -0.082  1.00  0.00           H  
HETATM   58  H18 UNL     1      -3.837   5.667   1.361  1.00  0.00           H  
HETATM   59  H19 UNL     1      -0.604   3.844   1.878  1.00  0.00           H  
HETATM   60  H20 UNL     1      -2.681   0.424   1.816  1.00  0.00           H  
HETATM   61  H21 UNL     1      -3.828   2.980   1.353  1.00  0.00           H  
HETATM   62  H22 UNL     1      -4.647   1.457   1.676  1.00  0.00           H  
HETATM   63  H23 UNL     1      -5.415   1.167  -0.404  1.00  0.00           H  
HETATM   64  H24 UNL     1      -4.779   2.861  -0.764  1.00  0.00           H  
HETATM   65  H25 UNL     1      -2.778   1.931  -1.734  1.00  0.00           H  
HETATM   66  H26 UNL     1      -3.926   0.607  -1.998  1.00  0.00           H  
HETATM   67  H27 UNL     1      -1.486  -1.416   1.444  1.00  0.00           H  
HETATM   68  H28 UNL     1      -3.742  -1.664   1.480  1.00  0.00           H  
HETATM   69  H29 UNL     1      -3.060  -3.287   1.437  1.00  0.00           H  
HETATM   70  H30 UNL     1      -4.217  -1.947  -1.065  1.00  0.00           H  
HETATM   71  H31 UNL     1      -6.089  -3.383  -0.710  1.00  0.00           H  
HETATM   72  H32 UNL     1      -5.221  -4.182   0.662  1.00  0.00           H  
HETATM   73  H33 UNL     1      -5.749  -2.421   0.816  1.00  0.00           H  
HETATM   74  H34 UNL     1      -3.305  -4.847  -0.526  1.00  0.00           H  
HETATM   75  H35 UNL     1      -4.125  -4.165  -1.967  1.00  0.00           H  
HETATM   76  H36 UNL     1      -2.480  -3.628  -1.651  1.00  0.00           H  
HETATM   77  H37 UNL     1      -1.329  -3.942   0.398  1.00  0.00           H  
HETATM   78  H38 UNL     1       2.034  -2.031  -1.175  1.00  0.00           H  
HETATM   79  H39 UNL     1       2.317  -4.362  -0.803  1.00  0.00           H  
HETATM   80  H40 UNL     1       2.467  -4.733   2.047  1.00  0.00           H  
HETATM   81  H41 UNL     1       1.277  -5.410   0.893  1.00  0.00           H  
HETATM   82  H42 UNL     1       0.897  -3.862   1.702  1.00  0.00           H  
HETATM   83  H43 UNL     1       4.222  -2.744  -0.418  1.00  0.00           H  
HETATM   84  H44 UNL     1       3.996  -3.003   1.385  1.00  0.00           H  
HETATM   85  H45 UNL     1       4.384  -4.373   0.249  1.00  0.00           H  
HETATM   86  H46 UNL     1       0.828  -1.798   1.608  1.00  0.00           H  
CONECT    1    2   41   42   43
CONECT    2    3    4   44
CONECT    3   45   46   47
CONECT    4    5   48   49
CONECT    5    6   39   50
CONECT    6    7   51
CONECT    7    8    8    9
CONECT    9   10   52   53
CONECT   10   11   54
CONECT   11   12   12   13
CONECT   13   14   16   55
CONECT   14   15   56   57
CONECT   15   58
CONECT   16   17   59
CONECT   17   18   18   19
CONECT   19   20   23   60
CONECT   20   21   61   62
CONECT   21   22   63   64
CONECT   22   23   65   66
CONECT   23   24
CONECT   24   25   25   26
CONECT   26   27   31   67
CONECT   27   28   68   69
CONECT   28   29   30   70
CONECT   29   71   72   73
CONECT   30   74   75   76
CONECT   31   32   77
CONECT   32   33   33   34
CONECT   34   35   38   78
CONECT   35   36   37   79
CONECT   36   80   81   82
CONECT   37   83   84   85
CONECT   38   39   86
CONECT   39   40   40
END

HMDB0303709
     RDKit          3D
Cyclo(glycylleucylvalylleucylprolylseryl)
 86 87  0  0  0  0  0  0  0  0999 V2000
    5.4785    1.1913    1.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060    0.0797    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245   -0.1000   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534    0.3969   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498    0.6365    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.9347   -0.7659 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    2.2557   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572    2.5020   -2.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5787    3.4531   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7742    4.5465   -0.8140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6196    4.5708   -0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146    4.9108   -2.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6321    4.2476    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9488    5.6175    0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200    5.5318    1.6957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725    3.3367    1.1132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    1.9507    1.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    1.2311    1.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203    1.1783    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8908    1.9423    0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5245    1.8278   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4303    1.2065   -1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    0.4289   -0.3060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073   -0.7625   -0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774   -0.9310   -1.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122   -1.8930    0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362   -2.3562    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0193   -2.7892   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4021   -3.2138    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003   -3.9149   -1.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -2.9641    0.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2368   -3.0041   -0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2405   -3.5983   -1.7821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -2.4539   -0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -3.7118    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378   -4.4475    1.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200   -3.4173    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5594   -1.5694    0.8658 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797   -0.4724    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8935   -0.3984    2.2952 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    1.5027    1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127    0.8835    2.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8773    2.0931    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9971   -0.8653    0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4204    0.7678   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2509   -1.0300   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3581   -0.1058    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9051   -0.4930   -1.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212    1.2436   -1.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291    1.5902    0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    0.1699   -1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3745    3.1674    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    3.7310   -0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    5.4310   -1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388    3.8890   -0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121    5.9729    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    6.3321   -0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8372    5.6666    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    3.8440    1.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806    0.4241    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8283    2.9804    1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6468    1.4569    1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4147    1.1670   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7790    2.8605   -0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7783    1.9315   -1.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9262    0.6073   -1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860   -1.4163    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7421   -1.6640    1.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596   -3.2865    1.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166   -1.9470   -1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0895   -3.3831   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -4.1818    0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -2.4214    0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054   -4.8471   -0.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1246   -4.1655   -1.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804   -3.6281   -1.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -3.9420    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344   -2.0308   -1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174   -4.3616   -0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.7326    2.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769   -5.4100    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -3.8616    1.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221   -2.7437   -0.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9956   -3.0033    1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839   -4.3733    0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278   -1.7982    1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
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 28 29  1  0
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 26 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 34 38  1  0
 38 39  1  0
 39 40  2  0
 39  5  1  0
 23 19  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  3 45  1  0
  3 46  1  0
  3 47  1  0
  4 48  1  0
  4 49  1  0
  5 50  1  0
  6 51  1  0
  9 52  1  0
  9 53  1  0
 10 54  1  0
 13 55  1  0
 14 56  1  0
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 16 59  1  0
 19 60  1  0
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 29 71  1  0
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 30 75  1  0
 30 76  1  0
 31 77  1  0
 34 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 36 82  1  0
 37 83  1  0
 37 84  1  0
 37 85  1  0
 38 86  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₄₆N₆O₇

Average Molecular Weight

566.7

Monoisotopic Molecular Weight

566.342797845

IUPAC Name

3-(hydroxymethyl)-9,15-bis(2-methylpropyl)-12-(propan-2-yl)-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone

Traditional Name

3-(hydroxymethyl)-12-isopropyl-9,15-bis(2-methylpropyl)-tetradecahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone

CAS Registry Number

Not Available

SMILES

CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(NC1=O)C(C)C

InChI Identifier

InChI=1S/C27H46N6O7/c1-14(2)10-17-24(37)32-22(16(5)6)26(39)30-18(11-15(3)4)27(40)33-9-7-8-20(33)25(38)31-19(13-34)23(36)28-12-21(35)29-17/h14-20,22,34H,7-13H2,1-6H3,(H,28,36)(H,29,35)(H,30,39)(H,31,38)(H,32,37)

InChI Key

AGPIOXWTGKGPPK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Cyclic alpha peptide
Macrolactam
Alpha-amino acid or derivatives
Pyrrolidine
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Lactam
Carboxamide group
Azacycle
Organoheterocyclic compound
Alcohol
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Citrus (FooDB: FOOD00859)

Process

Not Available

Role

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	-0.03	ALOGPS
logP	-1.2	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	10.36	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	186.04 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	144.87 m³·mol⁻¹	ChemAxon
Polarizability	59.9 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	233.343	32859911
AllCCS	[M+H-H2O]+	232.23	32859911
AllCCS	[M+Na]+	234.618	32859911
AllCCS	[M+NH4]+	234.339	32859911
AllCCS	[M-H]-	226.442	32859911
AllCCS	[M+Na-2H]-	228.727	32859911
AllCCS	[M+HCOO]-	231.369	32859911
DeepCCS	[M+H]+	237.627	30932474
DeepCCS	[M-H]-	235.232	30932474
DeepCCS	[M-2H]-	268.116	30932474
DeepCCS	[M+Na]+	243.54	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #1	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4506.2	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #1	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4299.8	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #1	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	8751.1	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #10	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4397.4	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #10	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4294.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #10	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	8194.7	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #11	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4396.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #11	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4267.9	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #11	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	8195.8	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #12	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4313.7	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #12	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4309.8	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #12	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	8064.9	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #13	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4391.8	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #13	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4211.2	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #13	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	8172.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4322.2	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4240.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	8136.9	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #15	CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4343.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #15	CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4205.0	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #15	CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	8304.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #2	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4507.8	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #2	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4324.9	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #2	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	8707.7	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #3	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4494.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #3	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4258.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #3	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	8864.6	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #4	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4482.2	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #4	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4225.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #4	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	8934.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4388.5	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4259.9	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	8881.0	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #6	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C	4430.2	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #6	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C	4254.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #6	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C	8132.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C1=O	4335.8	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C1=O	4265.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C1=O	8197.8	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4418.4	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4336.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	8207.1	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4427.9	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4294.1	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	7998.2	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #1	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	4372.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #1	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	4357.3	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #1	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	7936.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #10	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4306.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #10	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4306.6	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #10	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	8074.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #11	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C	4273.6	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #11	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C	4318.8	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #11	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C	7348.6	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #12	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)NCC(=O)N1[Si](C)(C)C	4298.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #12	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)NCC(=O)N1[Si](C)(C)C	4363.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #12	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)NCC(=O)N1[Si](C)(C)C	7075.0	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #13	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	4285.0	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #13	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	4391.8	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #13	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	7374.2	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4206.9	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4406.3	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	7306.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #15	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4238.7	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #15	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4366.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #15	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	7156.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #16	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4297.7	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #16	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4404.8	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #16	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	7249.7	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #17	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4279.0	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #17	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4345.1	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #17	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	7250.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #18	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4206.2	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #18	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4384.1	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #18	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	7144.6	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #19	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4237.4	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #19	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4360.2	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #19	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	7254.8	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #2	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4293.5	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #2	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4366.0	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #2	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	7982.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #20	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4256.0	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #20	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4304.3	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #20	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	7237.8	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #3	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4382.2	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #3	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4427.4	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #3	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	7878.1	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #4	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4381.0	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #4	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4379.3	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #4	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	7785.2	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #5	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4392.1	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #5	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4378.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #5	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	7891.4	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #6	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4358.7	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #6	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4364.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #6	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	7873.0	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4292.8	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4408.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	7723.8	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #8	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4362.0	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #8	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4303.0	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #8	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	7946.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4291.5	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4332.1	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),3TMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	7906.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #1	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	4275.4	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #1	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	4414.4	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #1	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	7177.4	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #10	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4259.5	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #10	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4381.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #10	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	7047.6	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #11	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)NCC(=O)N1[Si](C)(C)C	4220.1	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #11	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)NCC(=O)N1[Si](C)(C)C	4429.6	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #11	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)NCC(=O)N1[Si](C)(C)C	6253.7	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #12	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	4211.9	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #12	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	4459.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #12	CC(C)CC1C(=O)N([Si](C)(C)C)C(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	6486.1	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #13	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	4215.1	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #13	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	4474.9	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #13	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	6348.7	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4166.6	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4485.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	6306.4	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #15	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4185.0	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #15	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4437.4	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #15	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	6269.6	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #2	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	4297.7	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #2	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	4446.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #2	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CO[Si](C)(C)C)C(=O)NCC(=O)N1[Si](C)(C)C	6904.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #3	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	4282.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #3	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	4485.9	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #3	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO[Si](C)(C)C)C(=O)N([Si](C)(C)C)CC(=O)N1[Si](C)(C)C	7075.2	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #4	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4215.6	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #4	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	4502.9	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #4	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C1=O	6986.7	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4239.9	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4447.1	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	6969.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #6	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4309.1	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #6	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4483.2	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #6	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	6986.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #7	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4299.9	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #7	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	4424.2	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #7	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)NC1=O	6990.2	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4229.0	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	4466.6	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)C(=O)C2CCCN2C1=O	6865.0	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #9	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4237.4	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #9	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	4452.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),4TMS,isomer #9	CC(C)CC1NC(=O)CN([Si](C)(C)C)C(=O)C(CO[Si](C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C)C1=O	6936.8	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #1	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C1=O	4942.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #1	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C1=O	4699.0	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #1	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C1=O	8565.3	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #10	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4864.1	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #10	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4685.8	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #10	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	8030.2	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #11	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	4851.0	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #11	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	4657.0	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #11	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	8022.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #12	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4780.9	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #12	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4698.9	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #12	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	7880.8	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #13	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	4843.2	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #13	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	4614.0	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #13	CC(C)CC1NC(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	7992.7	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C1=O	4795.1	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C1=O	4642.6	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #14	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C1=O	7942.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #15	CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C1=O	4830.6	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #15	CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C1=O	4603.4	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #15	CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C1=O	8112.9	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #2	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4907.9	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #2	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4721.6	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #2	CC(C)CC1NC(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	8551.2	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #3	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4916.5	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #3	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	4664.9	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #3	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O	8674.2	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #4	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	4896.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #4	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	4626.2	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #4	CC(C)CC1NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(C(C)C)NC1=O	8747.8	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C1=O	4815.3	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C1=O	4666.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #5	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)C2CCCN2C1=O	8674.9	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #6	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C(C)(C)C	4883.5	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #6	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C(C)(C)C	4648.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #6	CC(C)CC1C(=O)NC(C(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C(CC(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NCC(=O)N1[Si](C)(C)C(C)(C)C	7930.5	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C1=O	4827.2	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C1=O	4657.5	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #7	CC(C)CC1NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)C(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C1=O	7979.1	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4897.7	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	4721.4	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #8	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CN([Si](C)(C)C(C)(C)C)C(=O)C(CO)NC(=O)C2CCCN2C1=O	8025.7	Standard polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C1=O	4894.6	Semi standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C1=O	4690.7	Standard non polar	33892256
Cyclo(glycylleucylvalylleucylprolylseryl),2TBDMS,isomer #9	CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N([Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(CO)N([Si](C)(C)C(C)(C)C)C(=O)C2CCCN2C1=O	7812.3	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 - Cyclo(glycylleucylvalylleucylprolylseryl) 10V, Positive-QTOF	splash10-00kb-0000090000-896aff88bab06f791bc9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 20V, Positive-QTOF	splash10-0002-1001090000-c49f0ce3f6d4d6df9df6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 40V, Positive-QTOF	splash10-0n90-9520000000-3c0d5899f8a74c835448	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 10V, Negative-QTOF	splash10-014r-1001190000-7669b9d82aa405d92b9d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 20V, Negative-QTOF	splash10-0006-9122350000-2bed1ca187b77c1382f0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 40V, Negative-QTOF	splash10-001i-9740100000-82e107f1924f31510837	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 10V, Positive-QTOF	splash10-014i-0000090000-5e916d968a295dadc6ca	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 20V, Positive-QTOF	splash10-00kb-0000090000-aefea305c77ab3215b74	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 40V, Positive-QTOF	splash10-052f-9000380000-4a871583693631ce4b7c	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 10V, Negative-QTOF	splash10-014i-0000090000-43c373d3ada176113cc5	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 20V, Negative-QTOF	splash10-014i-0000090000-4fcc4c7dace6db5324d1	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyclo(glycylleucylvalylleucylprolylseryl) 40V, Negative-QTOF	splash10-004l-0000930000-586b8e474245fcf207c5	2021-10-21	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

FDB019055

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

85396302

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 Cyclo(glycylleucylvalylleucylprolylseryl) (HMDB0303709)

MOL for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

3D MOL for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

3D SDF for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

3D-SDF for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

PDB for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

3D PDB for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

SMILES for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

INCHI for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

Structure for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

3D Structure for HMDB0303709 (Cyclo(glycylleucylvalylleucylprolylseryl))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra