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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 00:11:03 UTC

Update Date

2021-09-26 22:56:41 UTC

HMDB ID

HMDB0247171

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Leuphasyl

Description

Leuphasyl, also known as BW 180C or DADLE, 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 Leuphasyl. This compound has been identified in human blood as reported by (PMID: 31557052 ). Leuphasyl is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Leuphasyl is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112102112D          

 41 42  0  0  0  0            999 V2000
    4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -11.1375    0.0000 N   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  2  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 37 40  1  0  0  0  0
 32 41  1  0  0  0  0
M  END

HMDB0247171
     RDKit          3D
Leuphasyl
 80 81  0  0  0  0  0  0  0  0999 V2000
   -3.7563    2.4542    0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360    3.2363   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954    4.5606   -0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9714    2.5893   -1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2848    1.2741   -1.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    0.2270   -1.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -0.4633   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350   -0.0795    0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6612   -1.5126    0.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999   -2.8035    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986   -2.6394   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5250   -2.5605   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5864   -2.4556   -1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3786   -2.4240   -2.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0809   -2.5009   -2.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0175   -2.6061   -2.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6457   -1.8439    1.8992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -1.6646    3.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1075   -1.2203    3.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141   -1.9658    4.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -2.3999    3.7957 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145   -1.4946    3.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666   -0.3302    2.8153 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196   -1.9356    2.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1955   -3.1360    1.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9455   -0.8728    1.6916 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245   -0.3965    2.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8186   -0.9067    3.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    0.6870    1.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1969    0.9809    1.7959 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    0.2795   -0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    1.3825   -0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0992    1.3769   -1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    2.3571   -1.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1160    3.3821   -2.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7507    4.3937   -3.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7395    3.3911   -2.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0429    2.4051   -1.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1939    0.9039   -3.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5996   -0.2075   -3.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648    1.7639   -4.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    1.9188    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5012    1.7371    0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3282    3.1410    1.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9987    3.4777   -0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5805    4.4791   -1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0589    5.3398   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3561    4.8041    0.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5788    3.2972   -2.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0462    2.4181   -2.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362    1.4303   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8603    0.0158   -1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5359   -1.1275    1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3292   -3.5643    1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151   -3.2348   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6699   -2.5874    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5984   -2.3958   -0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1967   -2.3420   -3.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9287   -2.4752   -4.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9903   -2.6677   -2.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -2.2057    1.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -2.7332    5.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015   -1.0297    4.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321   -3.3677    3.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -2.2347    3.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0361   -2.8728    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -3.8251    1.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -3.7274    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -0.4605    0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2643    1.6111    1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5207    1.9410    1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024    0.7536    2.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    0.1875   -0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520   -0.6210   -0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6693    0.5860   -0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    2.3471   -1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0179    5.2290   -2.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1693    4.1868   -2.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9718    2.4392   -1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854    2.2117   -4.9380 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
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
  5 39  1  0
 39 40  2  0
 39 41  1  0
 16 11  1  0
 38 32  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  0
  6 52  1  0
  9 53  1  0
 10 54  1  0
 10 55  1  0
 12 56  1  0
 13 57  1  0
 14 58  1  0
 15 59  1  0
 16 60  1  0
 17 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  0
 24 65  1  0
 25 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 31 73  1  0
 31 74  1  0
 33 75  1  0
 34 76  1  0
 36 77  1  0
 37 78  1  0
 38 79  1  0
 41 80  1  0
M  END

  Mrv1652309112102112D          

 41 42  0  0  0  0            999 V2000
    4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -11.1375    0.0000 N   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  2  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 37 40  1  0  0  0  0
 32 41  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247171

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)

> <INCHI_KEY>
ZHUJMSMQIPIPTF-UHFFFAOYSA-N

> <FORMULA>
C29H39N5O7

> <MOLECULAR_WEIGHT>
569.659

> <EXACT_MASS>
569.284948616

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
59.19852910070598

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]propanamido}acetamido)-3-phenylpropanamido]-4-methylpentanoic acid

> <ALOGPS_LOGP>
-0.86

> <JCHEM_LOGP>
-1.2950686736416348

> <ALOGPS_LOGS>
-4.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.50971738759771

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7021072152142693

> <JCHEM_PKA_STRONGEST_BASIC>
7.72703739431544

> <JCHEM_POLAR_SURFACE_AREA>
199.95

> <JCHEM_REFRACTIVITY>
150.0855

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.63e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dadle

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0247171
     RDKit          3D
Leuphasyl
 80 81  0  0  0  0  0  0  0  0999 V2000
   -3.7563    2.4542    0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360    3.2363   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954    4.5606   -0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9714    2.5893   -1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2848    1.2741   -1.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    0.2270   -1.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -0.4633   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350   -0.0795    0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6612   -1.5126    0.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999   -2.8035    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986   -2.6394   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5250   -2.5605   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5864   -2.4556   -1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3292   -3.5643    1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151   -3.2348   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6699   -2.5874    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5984   -2.3958   -0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1967   -2.3420   -3.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9287   -2.4752   -4.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9903   -2.6677   -2.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -2.2057    1.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -2.7332    5.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015   -1.0297    4.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321   -3.3677    3.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -2.2347    3.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0361   -2.8728    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -3.8251    1.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -3.7274    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -0.4605    0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2643    1.6111    1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5207    1.9410    1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024    0.7536    2.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    0.1875   -0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520   -0.6210   -0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6693    0.5860   -0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    2.3471   -1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0179    5.2290   -2.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1693    4.1868   -2.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9718    2.4392   -1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854    2.2117   -4.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 38 79  1  0
 41 80  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       8.002 -18.480   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336 -19.250   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336 -20.790   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669 -18.480   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003 -19.250   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003 -20.790   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.669 -21.560   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      13.337 -21.560   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      13.337 -18.480   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      14.670 -19.250   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      14.670 -20.790   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      16.004 -18.480   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.004 -16.940   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.337 -16.940   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      17.338 -19.250   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      18.672 -18.480   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      18.672 -16.940   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      20.005 -19.250   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      21.339 -18.480   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      22.673 -19.250   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      22.673 -20.790   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      24.006 -18.480   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      24.006 -16.940   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      25.340 -19.250   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      26.674 -18.480   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      26.674 -16.940   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      28.007 -19.250   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      29.341 -18.480   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      30.675 -19.250   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      32.008 -18.480   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      33.342 -19.250   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      33.342 -20.790   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      32.008 -21.560   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      30.675 -20.790   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      34.676 -21.560   0.000  0.00  0.00           O+0
HETATM   41  N   UNK     0      28.007 -20.790   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    5   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   14                                                       
CONECT   20   12   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   41                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   40                                                  
CONECT   38   37   39                                                       
CONECT   39   38   34                                                       
CONECT   40   37                                                            
CONECT   41   32                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   84    0
END

COMPND    HMDB0247171
HETATM    1  C1  UNL     1      -3.756   2.454   0.657  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.036   3.236  -0.402  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.795   4.561  -0.544  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.971   2.589  -1.746  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.285   1.274  -1.817  1.00  0.00           C  
HETATM    6  N1  UNL     1      -2.871   0.227  -1.006  1.00  0.00           N  
HETATM    7  C6  UNL     1      -2.168  -0.463  -0.004  1.00  0.00           C  
HETATM    8  O1  UNL     1      -0.935  -0.079   0.130  1.00  0.00           O  
HETATM    9  C7  UNL     1      -2.661  -1.513   0.864  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.100  -2.803   0.233  1.00  0.00           C  
HETATM   11  C9  UNL     1      -4.199  -2.639  -0.721  1.00  0.00           C  
HETATM   12  C10 UNL     1      -5.525  -2.560  -0.279  1.00  0.00           C  
HETATM   13  C11 UNL     1      -6.586  -2.456  -1.151  1.00  0.00           C  
HETATM   14  C12 UNL     1      -6.379  -2.424  -2.514  1.00  0.00           C  
HETATM   15  C13 UNL     1      -5.081  -2.501  -2.969  1.00  0.00           C  
HETATM   16  C14 UNL     1      -4.018  -2.606  -2.087  1.00  0.00           C  
HETATM   17  N2  UNL     1      -1.646  -1.844   1.899  1.00  0.00           N  
HETATM   18  C15 UNL     1      -1.952  -1.665   3.251  1.00  0.00           C  
HETATM   19  O2  UNL     1      -3.108  -1.220   3.567  1.00  0.00           O  
HETATM   20  C16 UNL     1      -1.014  -1.966   4.332  1.00  0.00           C  
HETATM   21  N3  UNL     1       0.254  -2.400   3.796  1.00  0.00           N  
HETATM   22  C17 UNL     1       1.015  -1.495   3.013  1.00  0.00           C  
HETATM   23  O3  UNL     1       0.567  -0.330   2.815  1.00  0.00           O  
HETATM   24  C18 UNL     1       2.320  -1.936   2.445  1.00  0.00           C  
HETATM   25  C19 UNL     1       2.195  -3.136   1.543  1.00  0.00           C  
HETATM   26  N4  UNL     1       2.945  -0.873   1.692  1.00  0.00           N  
HETATM   27  C20 UNL     1       4.225  -0.396   2.041  1.00  0.00           C  
HETATM   28  O4  UNL     1       4.819  -0.907   3.017  1.00  0.00           O  
HETATM   29  C21 UNL     1       4.882   0.687   1.286  1.00  0.00           C  
HETATM   30  N5  UNL     1       6.197   0.981   1.796  1.00  0.00           N  
HETATM   31  C22 UNL     1       5.037   0.279  -0.173  1.00  0.00           C  
HETATM   32  C23 UNL     1       5.715   1.382  -0.929  1.00  0.00           C  
HETATM   33  C24 UNL     1       7.099   1.377  -1.015  1.00  0.00           C  
HETATM   34  C25 UNL     1       7.793   2.357  -1.691  1.00  0.00           C  
HETATM   35  C26 UNL     1       7.116   3.382  -2.308  1.00  0.00           C  
HETATM   36  O5  UNL     1       7.751   4.394  -3.001  1.00  0.00           O  
HETATM   37  C27 UNL     1       5.739   3.391  -2.224  1.00  0.00           C  
HETATM   38  C28 UNL     1       5.043   2.405  -1.544  1.00  0.00           C  
HETATM   39  C29 UNL     1      -2.194   0.904  -3.261  1.00  0.00           C  
HETATM   40  O6  UNL     1      -2.600  -0.207  -3.652  1.00  0.00           O  
HETATM   41  O7  UNL     1      -1.665   1.764  -4.208  1.00  0.00           O  
HETATM   42  H1  UNL     1      -3.056   1.919   1.349  1.00  0.00           H  
HETATM   43  H2  UNL     1      -4.501   1.737   0.275  1.00  0.00           H  
HETATM   44  H3  UNL     1      -4.328   3.141   1.347  1.00  0.00           H  
HETATM   45  H4  UNL     1      -1.999   3.478  -0.065  1.00  0.00           H  
HETATM   46  H5  UNL     1      -4.581   4.479  -1.341  1.00  0.00           H  
HETATM   47  H6  UNL     1      -3.059   5.340  -0.759  1.00  0.00           H  
HETATM   48  H7  UNL     1      -4.356   4.804   0.387  1.00  0.00           H  
HETATM   49  H8  UNL     1      -2.579   3.297  -2.508  1.00  0.00           H  
HETATM   50  H9  UNL     1      -4.046   2.418  -2.066  1.00  0.00           H  
HETATM   51  H10 UNL     1      -1.236   1.430  -1.405  1.00  0.00           H  
HETATM   52  H11 UNL     1      -3.860   0.016  -1.198  1.00  0.00           H  
HETATM   53  H12 UNL     1      -3.536  -1.127   1.425  1.00  0.00           H  
HETATM   54  H13 UNL     1      -3.329  -3.564   1.021  1.00  0.00           H  
HETATM   55  H14 UNL     1      -2.215  -3.235  -0.301  1.00  0.00           H  
HETATM   56  H15 UNL     1      -5.670  -2.587   0.806  1.00  0.00           H  
HETATM   57  H16 UNL     1      -7.598  -2.396  -0.783  1.00  0.00           H  
HETATM   58  H17 UNL     1      -7.197  -2.342  -3.228  1.00  0.00           H  
HETATM   59  H18 UNL     1      -4.929  -2.475  -4.053  1.00  0.00           H  
HETATM   60  H19 UNL     1      -2.990  -2.668  -2.460  1.00  0.00           H  
HETATM   61  H20 UNL     1      -0.769  -2.206   1.481  1.00  0.00           H  
HETATM   62  H21 UNL     1      -1.440  -2.733   5.025  1.00  0.00           H  
HETATM   63  H22 UNL     1      -0.801  -1.030   4.923  1.00  0.00           H  
HETATM   64  H23 UNL     1       0.632  -3.368   3.966  1.00  0.00           H  
HETATM   65  H24 UNL     1       2.996  -2.235   3.285  1.00  0.00           H  
HETATM   66  H25 UNL     1       2.036  -2.873   0.479  1.00  0.00           H  
HETATM   67  H26 UNL     1       1.390  -3.825   1.880  1.00  0.00           H  
HETATM   68  H27 UNL     1       3.150  -3.727   1.557  1.00  0.00           H  
HETATM   69  H28 UNL     1       2.425  -0.461   0.872  1.00  0.00           H  
HETATM   70  H29 UNL     1       4.264   1.611   1.373  1.00  0.00           H  
HETATM   71  H30 UNL     1       6.521   1.941   1.556  1.00  0.00           H  
HETATM   72  H31 UNL     1       6.302   0.754   2.807  1.00  0.00           H  
HETATM   73  H32 UNL     1       4.029   0.188  -0.628  1.00  0.00           H  
HETATM   74  H33 UNL     1       5.652  -0.621  -0.239  1.00  0.00           H  
HETATM   75  H34 UNL     1       7.669   0.586  -0.543  1.00  0.00           H  
HETATM   76  H35 UNL     1       8.868   2.347  -1.755  1.00  0.00           H  
HETATM   77  H36 UNL     1       8.018   5.229  -2.483  1.00  0.00           H  
HETATM   78  H37 UNL     1       5.169   4.187  -2.700  1.00  0.00           H  
HETATM   79  H38 UNL     1       3.972   2.439  -1.495  1.00  0.00           H  
HETATM   80  H39 UNL     1      -2.185   2.212  -4.938  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3    4   45
CONECT    3   46   47   48
CONECT    4    5   49   50
CONECT    5    6   39   51
CONECT    6    7   52
CONECT    7    8    8    9
CONECT    9   10   17   53
CONECT   10   11   54   55
CONECT   11   12   12   16
CONECT   12   13   56
CONECT   13   14   14   57
CONECT   14   15   58
CONECT   15   16   16   59
CONECT   16   60
CONECT   17   18   61
CONECT   18   19   19   20
CONECT   20   21   62   63
CONECT   21   22   64
CONECT   22   23   23   24
CONECT   24   25   26   65
CONECT   25   66   67   68
CONECT   26   27   69
CONECT   27   28   28   29
CONECT   29   30   31   70
CONECT   30   71   72
CONECT   31   32   73   74
CONECT   32   33   33   38
CONECT   33   34   75
CONECT   34   35   35   76
CONECT   35   36   37
CONECT   36   77
CONECT   37   38   38   78
CONECT   38   79
CONECT   39   40   40   41
CONECT   41   80
END

HMDB0247171
     RDKit          3D
Leuphasyl
 80 81  0  0  0  0  0  0  0  0999 V2000
   -3.7563    2.4542    0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360    3.2363   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954    4.5606   -0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9714    2.5893   -1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2848    1.2741   -1.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    0.2270   -1.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -0.4633   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350   -0.0795    0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6612   -1.5126    0.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999   -2.8035    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986   -2.6394   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5250   -2.5605   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5864   -2.4556   -1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3786   -2.4240   -2.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0809   -2.5009   -2.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0175   -2.6061   -2.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6457   -1.8439    1.8992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -1.6646    3.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1075   -1.2203    3.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141   -1.9658    4.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -2.3999    3.7957 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145   -1.4946    3.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666   -0.3302    2.8153 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196   -1.9356    2.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1955   -3.1360    1.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9455   -0.8728    1.6916 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245   -0.3965    2.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8186   -0.9067    3.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    0.6870    1.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1969    0.9809    1.7959 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    0.2795   -0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149    1.3825   -0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0992    1.3769   -1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    2.3571   -1.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1160    3.3821   -2.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7507    4.3937   -3.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7395    3.3911   -2.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0429    2.4051   -1.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1939    0.9039   -3.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5996   -0.2075   -3.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648    1.7639   -4.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    1.9188    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5012    1.7371    0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3282    3.1410    1.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9987    3.4777   -0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5805    4.4791   -1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0589    5.3398   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3561    4.8041    0.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5788    3.2972   -2.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0462    2.4181   -2.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362    1.4303   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8603    0.0158   -1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5359   -1.1275    1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3292   -3.5643    1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151   -3.2348   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6699   -2.5874    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5984   -2.3958   -0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1967   -2.3420   -3.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9287   -2.4752   -4.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9903   -2.6677   -2.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -2.2057    1.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -2.7332    5.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015   -1.0297    4.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321   -3.3677    3.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -2.2347    3.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0361   -2.8728    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -3.8251    1.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -3.7274    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -0.4605    0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2643    1.6111    1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5207    1.9410    1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3024    0.7536    2.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    0.1875   -0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520   -0.6210   -0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6693    0.5860   -0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    2.3471   -1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0179    5.2290   -2.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1693    4.1868   -2.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9718    2.4392   -1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854    2.2117   -4.9380 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
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
  5 39  1  0
 39 40  2  0
 39 41  1  0
 16 11  1  0
 38 32  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  0
  6 52  1  0
  9 53  1  0
 10 54  1  0
 10 55  1  0
 12 56  1  0
 13 57  1  0
 14 58  1  0
 15 59  1  0
 16 60  1  0
 17 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  0
 24 65  1  0
 25 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 31 73  1  0
 31 74  1  0
 33 75  1  0
 34 76  1  0
 36 77  1  0
 37 78  1  0
 38 79  1  0
 41 80  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2 Alanyl leucine enkephalin	HMDB
2-Alanyl-leucine enkephalin	HMDB
5 Leucine 2 alanine enkephalin	HMDB
5-Leucine-2-alanine enkephalin	HMDB
BW 180C	HMDB
BW-180C	HMDB
D-Ala(2)-D-leu(5)-enkephalin	HMDB
DADLE	HMDB
Enkephalin, 2-alanyl-leucine	HMDB
Enkephalin, 5-leucine-2-alanine	HMDB
Enkephalin, leucine 2 alanine	HMDB
Enkephalin, leucine-2-alanine	HMDB
Enkephalin-2-alanine, leucine	HMDB
Enkephalin-leu,ala(2)	HMDB
Leu enkephalin 2 ala	HMDB
Leu-enkephalin-2-ala	HMDB
Leucine enkephalin 2 alanine	HMDB
Leucine enkephalin-2-alanine	HMDB
Leucine-2-alanine enkephalin	HMDB

Chemical Formula

C₂₉H₃₉N₅O₇

Average Molecular Weight

569.659

Monoisotopic Molecular Weight

569.284948616

IUPAC Name

2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]propanamido}acetamido)-3-phenylpropanamido]-4-methylpentanoic acid

Traditional Name

dadle

CAS Registry Number

Not Available

SMILES

CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)

InChI Key

ZHUJMSMQIPIPTF-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
Tyrosine or derivatives
Phenylalanine or derivatives
Leucine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alanine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aralkylamine
Benzenoid
Fatty acyl
Monocyclic benzene moiety
Fatty amide
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organopnictogen compound
Organic nitrogen compound
Amine
Organic oxygen compound
Primary amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

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	-0.86	ALOGPS
logP	-1.3	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	3.7	ChemAxon
pKa (Strongest Basic)	7.73	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	199.95 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	150.09 m³·mol⁻¹	ChemAxon
Polarizability	59.2 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
DeepCCS	[M+H]+	228.271	30932474
DeepCCS	[M-H]-	225.875	30932474
DeepCCS	[M-2H]-	258.76	30932474
DeepCCS	[M+Na]+	234.184	30932474
AllCCS	[M+H]+	237.5	32859911
AllCCS	[M+H-H2O]+	236.3	32859911
AllCCS	[M+NH4]+	238.6	32859911
AllCCS	[M+Na]+	238.9	32859911
AllCCS	[M-H]-	223.8	32859911
AllCCS	[M+Na-2H]-	226.4	32859911
AllCCS	[M+HCOO]-	229.4	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Leuphasyl,1TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O	4622.6	Semi standard non polar	33892256
Leuphasyl,1TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O	4037.3	Standard non polar	33892256
Leuphasyl,1TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O	7122.3	Standard polar	33892256
Leuphasyl,1TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C	4516.2	Semi standard non polar	33892256
Leuphasyl,1TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C	3990.7	Standard non polar	33892256
Leuphasyl,1TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C	7300.3	Standard polar	33892256
Leuphasyl,1TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O	4699.2	Semi standard non polar	33892256
Leuphasyl,1TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O	4099.3	Standard non polar	33892256
Leuphasyl,1TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O	6936.8	Standard polar	33892256
Leuphasyl,1TMS,isomer #4	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4557.0	Semi standard non polar	33892256
Leuphasyl,1TMS,isomer #4	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4033.3	Standard non polar	33892256
Leuphasyl,1TMS,isomer #4	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7344.9	Standard polar	33892256
Leuphasyl,1TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	4511.1	Semi standard non polar	33892256
Leuphasyl,1TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	4098.2	Standard non polar	33892256
Leuphasyl,1TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	7406.1	Standard polar	33892256
Leuphasyl,1TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	4558.9	Semi standard non polar	33892256
Leuphasyl,1TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	4109.9	Standard non polar	33892256
Leuphasyl,1TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	7357.7	Standard polar	33892256
Leuphasyl,1TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	4514.8	Semi standard non polar	33892256
Leuphasyl,1TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	4129.2	Standard non polar	33892256
Leuphasyl,1TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O	7174.8	Standard polar	33892256
Leuphasyl,2TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4482.4	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	3972.2	Standard non polar	33892256
Leuphasyl,2TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6679.8	Standard polar	33892256
Leuphasyl,2TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4418.7	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4033.7	Standard non polar	33892256
Leuphasyl,2TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6869.0	Standard polar	33892256
Leuphasyl,2TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4388.8	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4051.7	Standard non polar	33892256
Leuphasyl,2TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6697.5	Standard polar	33892256
Leuphasyl,2TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4565.8	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4074.8	Standard non polar	33892256
Leuphasyl,2TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	6482.1	Standard polar	33892256
Leuphasyl,2TMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4532.2	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4123.8	Standard non polar	33892256
Leuphasyl,2TMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6533.6	Standard polar	33892256
Leuphasyl,2TMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4571.9	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4130.9	Standard non polar	33892256
Leuphasyl,2TMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6477.2	Standard polar	33892256
Leuphasyl,2TMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4545.9	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4127.4	Standard non polar	33892256
Leuphasyl,2TMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6458.3	Standard polar	33892256
Leuphasyl,2TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4648.8	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4179.1	Standard non polar	33892256
Leuphasyl,2TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6581.3	Standard polar	33892256
Leuphasyl,2TMS,isomer #17	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4422.2	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #17	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4082.5	Standard non polar	33892256
Leuphasyl,2TMS,isomer #17	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6945.7	Standard polar	33892256
Leuphasyl,2TMS,isomer #18	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4450.3	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #18	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4102.4	Standard non polar	33892256
Leuphasyl,2TMS,isomer #18	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6897.0	Standard polar	33892256
Leuphasyl,2TMS,isomer #19	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4426.2	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #19	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4097.5	Standard non polar	33892256
Leuphasyl,2TMS,isomer #19	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6740.2	Standard polar	33892256
Leuphasyl,2TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O	4619.9	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O	4069.2	Standard non polar	33892256
Leuphasyl,2TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O	6362.9	Standard polar	33892256
Leuphasyl,2TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4414.3	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4134.3	Standard non polar	33892256
Leuphasyl,2TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6965.5	Standard polar	33892256
Leuphasyl,2TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4399.2	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4155.3	Standard non polar	33892256
Leuphasyl,2TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6793.8	Standard polar	33892256
Leuphasyl,2TMS,isomer #22	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4416.5	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #22	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4170.1	Standard non polar	33892256
Leuphasyl,2TMS,isomer #22	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6767.3	Standard polar	33892256
Leuphasyl,2TMS,isomer #3	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4518.6	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #3	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4011.2	Standard non polar	33892256
Leuphasyl,2TMS,isomer #3	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	6716.6	Standard polar	33892256
Leuphasyl,2TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	4487.7	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	4069.2	Standard non polar	33892256
Leuphasyl,2TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	6769.7	Standard polar	33892256
Leuphasyl,2TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	4524.1	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	4072.5	Standard non polar	33892256
Leuphasyl,2TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	6731.8	Standard polar	33892256
Leuphasyl,2TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	4475.4	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	4080.1	Standard non polar	33892256
Leuphasyl,2TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O	6574.5	Standard polar	33892256
Leuphasyl,2TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4545.5	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4033.3	Standard non polar	33892256
Leuphasyl,2TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	6397.1	Standard polar	33892256
Leuphasyl,2TMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4411.2	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	3980.8	Standard non polar	33892256
Leuphasyl,2TMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	6884.4	Standard polar	33892256
Leuphasyl,2TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4381.9	Semi standard non polar	33892256
Leuphasyl,2TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4035.5	Standard non polar	33892256
Leuphasyl,2TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6897.5	Standard polar	33892256
Leuphasyl,3TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4498.8	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4036.2	Standard non polar	33892256
Leuphasyl,3TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	5944.9	Standard polar	33892256
Leuphasyl,3TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4605.9	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4157.2	Standard non polar	33892256
Leuphasyl,3TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6097.9	Standard polar	33892256
Leuphasyl,3TMS,isomer #11	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4425.4	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #11	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4067.4	Standard non polar	33892256
Leuphasyl,3TMS,isomer #11	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6418.3	Standard polar	33892256
Leuphasyl,3TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4436.0	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4079.0	Standard non polar	33892256
Leuphasyl,3TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6381.4	Standard polar	33892256
Leuphasyl,3TMS,isomer #13	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4426.4	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #13	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4069.1	Standard non polar	33892256
Leuphasyl,3TMS,isomer #13	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6258.3	Standard polar	33892256
Leuphasyl,3TMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4417.0	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4113.0	Standard non polar	33892256
Leuphasyl,3TMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6436.2	Standard polar	33892256
Leuphasyl,3TMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4397.0	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4119.8	Standard non polar	33892256
Leuphasyl,3TMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6297.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4434.2	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4129.3	Standard non polar	33892256
Leuphasyl,3TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6276.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #17	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4445.1	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #17	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4054.6	Standard non polar	33892256
Leuphasyl,3TMS,isomer #17	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	6041.9	Standard polar	33892256
Leuphasyl,3TMS,isomer #18	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4430.4	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #18	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4094.6	Standard non polar	33892256
Leuphasyl,3TMS,isomer #18	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6053.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #19	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4456.6	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #19	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4091.3	Standard non polar	33892256
Leuphasyl,3TMS,isomer #19	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6017.0	Standard polar	33892256
Leuphasyl,3TMS,isomer #2	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4396.0	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #2	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3987.6	Standard non polar	33892256
Leuphasyl,3TMS,isomer #2	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	6366.6	Standard polar	33892256
Leuphasyl,3TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4436.8	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4097.9	Standard non polar	33892256
Leuphasyl,3TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6007.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4552.5	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4136.1	Standard non polar	33892256
Leuphasyl,3TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6106.6	Standard polar	33892256
Leuphasyl,3TMS,isomer #22	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4313.5	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #22	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4055.9	Standard non polar	33892256
Leuphasyl,3TMS,isomer #22	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6538.3	Standard polar	33892256
Leuphasyl,3TMS,isomer #23	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4327.9	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #23	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4066.2	Standard non polar	33892256
Leuphasyl,3TMS,isomer #23	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6508.1	Standard polar	33892256
Leuphasyl,3TMS,isomer #24	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4334.1	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #24	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4061.8	Standard non polar	33892256
Leuphasyl,3TMS,isomer #24	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6372.9	Standard polar	33892256
Leuphasyl,3TMS,isomer #25	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4321.5	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #25	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4086.3	Standard non polar	33892256
Leuphasyl,3TMS,isomer #25	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6529.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #26	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4314.8	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #26	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4097.4	Standard non polar	33892256
Leuphasyl,3TMS,isomer #26	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6377.8	Standard polar	33892256
Leuphasyl,3TMS,isomer #27	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4346.3	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #27	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4099.0	Standard non polar	33892256
Leuphasyl,3TMS,isomer #27	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6367.9	Standard polar	33892256
Leuphasyl,3TMS,isomer #28	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4467.3	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #28	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4137.3	Standard non polar	33892256
Leuphasyl,3TMS,isomer #28	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6147.2	Standard polar	33892256
Leuphasyl,3TMS,isomer #29	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4495.5	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #29	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4155.6	Standard non polar	33892256
Leuphasyl,3TMS,isomer #29	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6095.8	Standard polar	33892256
Leuphasyl,3TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4382.8	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4023.6	Standard non polar	33892256
Leuphasyl,3TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6377.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #30	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4468.4	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #30	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4148.8	Standard non polar	33892256
Leuphasyl,3TMS,isomer #30	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6092.0	Standard polar	33892256
Leuphasyl,3TMS,isomer #31	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4611.3	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #31	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4182.8	Standard non polar	33892256
Leuphasyl,3TMS,isomer #31	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6190.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #32	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4463.3	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #32	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4176.1	Standard non polar	33892256
Leuphasyl,3TMS,isomer #32	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6142.9	Standard polar	33892256
Leuphasyl,3TMS,isomer #33	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4434.8	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #33	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4189.8	Standard non polar	33892256
Leuphasyl,3TMS,isomer #33	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6131.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #34	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4583.7	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #34	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4221.2	Standard non polar	33892256
Leuphasyl,3TMS,isomer #34	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6232.9	Standard polar	33892256
Leuphasyl,3TMS,isomer #35	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4478.6	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #35	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4194.8	Standard non polar	33892256
Leuphasyl,3TMS,isomer #35	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6089.6	Standard polar	33892256
Leuphasyl,3TMS,isomer #36	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4617.7	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #36	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4232.6	Standard non polar	33892256
Leuphasyl,3TMS,isomer #36	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6183.5	Standard polar	33892256
Leuphasyl,3TMS,isomer #37	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4592.3	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #37	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4212.6	Standard non polar	33892256
Leuphasyl,3TMS,isomer #37	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6182.0	Standard polar	33892256
Leuphasyl,3TMS,isomer #38	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4355.4	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #38	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4141.2	Standard non polar	33892256
Leuphasyl,3TMS,isomer #38	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6559.3	Standard polar	33892256
Leuphasyl,3TMS,isomer #39	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4370.6	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #39	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4139.7	Standard non polar	33892256
Leuphasyl,3TMS,isomer #39	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6423.7	Standard polar	33892256
Leuphasyl,3TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4407.3	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4016.3	Standard non polar	33892256
Leuphasyl,3TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6356.4	Standard polar	33892256
Leuphasyl,3TMS,isomer #40	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4367.3	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #40	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4160.8	Standard non polar	33892256
Leuphasyl,3TMS,isomer #40	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6397.0	Standard polar	33892256
Leuphasyl,3TMS,isomer #41	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4349.9	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #41	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4193.5	Standard non polar	33892256
Leuphasyl,3TMS,isomer #41	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6448.8	Standard polar	33892256
Leuphasyl,3TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4388.7	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4026.0	Standard non polar	33892256
Leuphasyl,3TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6217.4	Standard polar	33892256
Leuphasyl,3TMS,isomer #6	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4530.9	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #6	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4075.1	Standard non polar	33892256
Leuphasyl,3TMS,isomer #6	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	6024.9	Standard polar	33892256
Leuphasyl,3TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4501.6	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4117.1	Standard non polar	33892256
Leuphasyl,3TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6063.4	Standard polar	33892256
Leuphasyl,3TMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4528.4	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4118.0	Standard non polar	33892256
Leuphasyl,3TMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6016.5	Standard polar	33892256
Leuphasyl,3TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4503.3	Semi standard non polar	33892256
Leuphasyl,3TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4119.7	Standard non polar	33892256
Leuphasyl,3TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6009.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #1	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4416.0	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #1	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4069.4	Standard non polar	33892256
Leuphasyl,4TMS,isomer #1	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5641.1	Standard polar	33892256
Leuphasyl,4TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4312.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4088.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5984.8	Standard polar	33892256
Leuphasyl,4TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4369.7	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4080.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5976.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4453.1	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4134.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5751.7	Standard polar	33892256
Leuphasyl,4TMS,isomer #13	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4473.6	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #13	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4145.2	Standard non polar	33892256
Leuphasyl,4TMS,isomer #13	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5703.0	Standard polar	33892256
Leuphasyl,4TMS,isomer #14	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4458.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #14	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4148.5	Standard non polar	33892256
Leuphasyl,4TMS,isomer #14	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5703.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #15	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4593.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #15	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4180.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #15	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5783.5	Standard polar	33892256
Leuphasyl,4TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4451.4	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4170.1	Standard non polar	33892256
Leuphasyl,4TMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5741.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #17	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4432.0	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #17	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4185.6	Standard non polar	33892256
Leuphasyl,4TMS,isomer #17	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5735.3	Standard polar	33892256
Leuphasyl,4TMS,isomer #18	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4565.9	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #18	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4214.4	Standard non polar	33892256
Leuphasyl,4TMS,isomer #18	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5816.6	Standard polar	33892256
Leuphasyl,4TMS,isomer #19	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4482.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #19	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4184.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #19	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5693.9	Standard polar	33892256
Leuphasyl,4TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4401.1	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4092.9	Standard non polar	33892256
Leuphasyl,4TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5653.2	Standard polar	33892256
Leuphasyl,4TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4610.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4221.7	Standard non polar	33892256
Leuphasyl,4TMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5772.0	Standard polar	33892256
Leuphasyl,4TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4605.0	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4212.5	Standard non polar	33892256
Leuphasyl,4TMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5776.5	Standard polar	33892256
Leuphasyl,4TMS,isomer #22	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4394.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #22	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4135.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #22	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6152.1	Standard polar	33892256
Leuphasyl,4TMS,isomer #23	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4398.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #23	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4138.0	Standard non polar	33892256
Leuphasyl,4TMS,isomer #23	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6041.8	Standard polar	33892256
Leuphasyl,4TMS,isomer #24	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4399.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #24	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4145.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #24	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6019.3	Standard polar	33892256
Leuphasyl,4TMS,isomer #25	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4399.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #25	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4179.1	Standard non polar	33892256
Leuphasyl,4TMS,isomer #25	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6061.6	Standard polar	33892256
Leuphasyl,4TMS,isomer #26	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4370.6	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #26	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4127.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #26	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5748.7	Standard polar	33892256
Leuphasyl,4TMS,isomer #27	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4388.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #27	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4138.5	Standard non polar	33892256
Leuphasyl,4TMS,isomer #27	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5705.6	Standard polar	33892256
Leuphasyl,4TMS,isomer #28	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4371.0	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #28	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4146.0	Standard non polar	33892256
Leuphasyl,4TMS,isomer #28	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5706.7	Standard polar	33892256
Leuphasyl,4TMS,isomer #29	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4518.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #29	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4177.6	Standard non polar	33892256
Leuphasyl,4TMS,isomer #29	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5792.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4412.6	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4084.8	Standard non polar	33892256
Leuphasyl,4TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5617.9	Standard polar	33892256
Leuphasyl,4TMS,isomer #30	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4381.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #30	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4153.4	Standard non polar	33892256
Leuphasyl,4TMS,isomer #30	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5723.3	Standard polar	33892256
Leuphasyl,4TMS,isomer #31	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4359.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #31	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4174.1	Standard non polar	33892256
Leuphasyl,4TMS,isomer #31	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5717.0	Standard polar	33892256
Leuphasyl,4TMS,isomer #32	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4507.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #32	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4202.7	Standard non polar	33892256
Leuphasyl,4TMS,isomer #32	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5804.2	Standard polar	33892256
Leuphasyl,4TMS,isomer #33	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4401.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #33	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4171.0	Standard non polar	33892256
Leuphasyl,4TMS,isomer #33	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5686.1	Standard polar	33892256
Leuphasyl,4TMS,isomer #34	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4551.5	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #34	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4208.8	Standard non polar	33892256
Leuphasyl,4TMS,isomer #34	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5769.0	Standard polar	33892256
Leuphasyl,4TMS,isomer #35	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4552.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #35	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4201.8	Standard non polar	33892256
Leuphasyl,4TMS,isomer #35	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5773.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #36	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4296.9	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #36	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4121.5	Standard non polar	33892256
Leuphasyl,4TMS,isomer #36	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6238.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #37	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4297.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #37	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4126.9	Standard non polar	33892256
Leuphasyl,4TMS,isomer #37	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6119.7	Standard polar	33892256
Leuphasyl,4TMS,isomer #38	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4312.1	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #38	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4135.5	Standard non polar	33892256
Leuphasyl,4TMS,isomer #38	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6104.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #39	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4304.1	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #39	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4155.3	Standard non polar	33892256
Leuphasyl,4TMS,isomer #39	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6118.2	Standard polar	33892256
Leuphasyl,4TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4417.0	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4099.1	Standard non polar	33892256
Leuphasyl,4TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5616.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #40	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4404.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #40	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4204.1	Standard non polar	33892256
Leuphasyl,4TMS,isomer #40	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5827.6	Standard polar	33892256
Leuphasyl,4TMS,isomer #41	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4414.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #41	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4219.7	Standard non polar	33892256
Leuphasyl,4TMS,isomer #41	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5822.1	Standard polar	33892256
Leuphasyl,4TMS,isomer #42	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4572.2	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #42	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4244.7	Standard non polar	33892256
Leuphasyl,4TMS,isomer #42	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5909.5	Standard polar	33892256
Leuphasyl,4TMS,isomer #43	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4435.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #43	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4234.6	Standard non polar	33892256
Leuphasyl,4TMS,isomer #43	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5777.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #44	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4601.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #44	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4269.0	Standard non polar	33892256
Leuphasyl,4TMS,isomer #44	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5860.0	Standard polar	33892256
Leuphasyl,4TMS,isomer #45	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4604.7	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #45	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4251.1	Standard non polar	33892256
Leuphasyl,4TMS,isomer #45	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5869.0	Standard polar	33892256
Leuphasyl,4TMS,isomer #46	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4410.1	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #46	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4260.0	Standard non polar	33892256
Leuphasyl,4TMS,isomer #46	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5817.8	Standard polar	33892256
Leuphasyl,4TMS,isomer #47	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4571.7	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #47	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4290.2	Standard non polar	33892256
Leuphasyl,4TMS,isomer #47	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5900.6	Standard polar	33892256
Leuphasyl,4TMS,isomer #48	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4580.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #48	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4287.7	Standard non polar	33892256
Leuphasyl,4TMS,isomer #48	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5903.0	Standard polar	33892256
Leuphasyl,4TMS,isomer #49	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4601.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #49	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4294.8	Standard non polar	33892256
Leuphasyl,4TMS,isomer #49	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5861.4	Standard polar	33892256
Leuphasyl,4TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4530.9	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4135.8	Standard non polar	33892256
Leuphasyl,4TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5702.1	Standard polar	33892256
Leuphasyl,4TMS,isomer #50	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4340.1	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #50	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4209.4	Standard non polar	33892256
Leuphasyl,4TMS,isomer #50	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6160.6	Standard polar	33892256
Leuphasyl,4TMS,isomer #6	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4324.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #6	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4056.5	Standard non polar	33892256
Leuphasyl,4TMS,isomer #6	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6115.5	Standard polar	33892256
Leuphasyl,4TMS,isomer #7	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4330.3	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #7	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4056.6	Standard non polar	33892256
Leuphasyl,4TMS,isomer #7	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6090.8	Standard polar	33892256
Leuphasyl,4TMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4336.6	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4057.5	Standard non polar	33892256
Leuphasyl,4TMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	5979.6	Standard polar	33892256
Leuphasyl,4TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4326.8	Semi standard non polar	33892256
Leuphasyl,4TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4077.5	Standard non polar	33892256
Leuphasyl,4TMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6110.0	Standard polar	33892256
Leuphasyl,1TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4876.7	Semi standard non polar	33892256
Leuphasyl,1TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4226.2	Standard non polar	33892256
Leuphasyl,1TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	7045.0	Standard polar	33892256
Leuphasyl,1TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4794.7	Semi standard non polar	33892256
Leuphasyl,1TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4183.5	Standard non polar	33892256
Leuphasyl,1TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	7175.0	Standard polar	33892256
Leuphasyl,1TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O	4882.9	Semi standard non polar	33892256
Leuphasyl,1TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O	4275.6	Standard non polar	33892256
Leuphasyl,1TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O	6821.2	Standard polar	33892256
Leuphasyl,1TBDMS,isomer #4	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4829.9	Semi standard non polar	33892256
Leuphasyl,1TBDMS,isomer #4	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4202.8	Standard non polar	33892256
Leuphasyl,1TBDMS,isomer #4	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	7190.7	Standard polar	33892256
Leuphasyl,1TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4811.0	Semi standard non polar	33892256
Leuphasyl,1TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4258.9	Standard non polar	33892256
Leuphasyl,1TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	7230.4	Standard polar	33892256
Leuphasyl,1TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4831.2	Semi standard non polar	33892256
Leuphasyl,1TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4255.6	Standard non polar	33892256
Leuphasyl,1TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	7218.7	Standard polar	33892256
Leuphasyl,1TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4800.8	Semi standard non polar	33892256
Leuphasyl,1TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4291.4	Standard non polar	33892256
Leuphasyl,1TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	7052.9	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4978.4	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4310.8	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6587.9	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4926.1	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4350.9	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #10	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	6715.7	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4903.4	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4359.1	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	6582.1	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4983.6	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4389.4	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #12	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6370.7	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4976.3	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4431.5	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	6397.0	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4996.0	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4429.8	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #14	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	6376.2	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4987.8	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4429.8	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #15	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	6363.1	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5106.7	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4454.1	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #16	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	6423.3	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #17	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4919.3	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #17	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4386.5	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #17	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6742.1	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #18	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4948.3	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #18	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4392.9	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #18	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6724.1	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #19	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4924.7	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #19	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4389.9	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #19	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6603.9	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O	5053.8	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O	4394.6	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O	6312.0	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4922.2	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4420.8	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #20	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	6769.4	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4919.6	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4436.5	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #21	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	6631.1	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #22	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4907.9	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #22	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4438.1	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #22	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	6636.2	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #3	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5013.7	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #3	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4333.9	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #3	CC(C)CC(C(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6606.2	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	5010.5	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4382.5	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	6637.6	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	5028.6	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4378.6	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	6630.1	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4993.3	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	4383.2	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O	6505.3	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4971.5	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4366.6	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	6311.9	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4912.3	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4317.1	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #8	CC(C)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	6713.7	Standard polar	33892256
Leuphasyl,2TBDMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4905.4	Semi standard non polar	33892256
Leuphasyl,2TBDMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4355.5	Standard non polar	33892256
Leuphasyl,2TBDMS,isomer #9	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)C(C)NC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	6712.6	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 - Leuphasyl 10V, Positive-QTOF	splash10-00di-0520390000-1dbd9f046ec445642d73	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Leuphasyl 20V, Positive-QTOF	splash10-03dm-2798530000-99c39c6a6a5013c82a85	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Leuphasyl 40V, Positive-QTOF	splash10-000g-4941000000-a1ce1e39cf5ce0e0b041	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Leuphasyl 10V, Negative-QTOF	splash10-014i-0100090000-3d7e612133e48ffca71a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Leuphasyl 20V, Negative-QTOF	splash10-0a4i-2935320000-cfcbf165173b767cebd3	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Leuphasyl 40V, Negative-QTOF	splash10-02fx-7900000000-b4658ba44399f4266689	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

40546

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44568

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Leuphasyl (HMDB0247171)

MOL for HMDB0247171 (Leuphasyl)

3D MOL for HMDB0247171 (Leuphasyl)

3D SDF for HMDB0247171 (Leuphasyl)

3D-SDF for HMDB0247171 (Leuphasyl)

PDB for HMDB0247171 (Leuphasyl)

3D PDB for HMDB0247171 (Leuphasyl)

SMILES for HMDB0247171 (Leuphasyl)

INCHI for HMDB0247171 (Leuphasyl)

Structure for HMDB0247171 (Leuphasyl)

3D Structure for HMDB0247171 (Leuphasyl)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra

NMR Spectra