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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 11:10:42 UTC

Update Date

2021-09-26 23:05:58 UTC

HMDB ID

HMDB0253010

Secondary Accession Numbers

None

Metabolite Identification

Common Name

D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide

Description

D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide, also known as S 2238 dihydrochloride or H-phe-pip-arg-p-nitroanilide, 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 D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). D-phenylalanyl-l-2-piperidinecarbonyl-n-(4-nitro phenyl)-l-argininamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide 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

  Mrv1652309112113112D          

 40 42  0  0  0  0            999 V2000
    1.4289    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
 15 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  4 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
 32 40  1  0  0  0  0
M  CHG  2  27   1  29  -1
M  END

HMDB0253010
     RDKit          3D
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide
 76 78  0  0  0  0  0  0  0  0999 V2000
   -5.1312   -5.1561    1.4553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4597   -5.5808    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6534   -6.8734   -0.2065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6727   -4.7334   -0.3499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5972   -3.4202    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6479   -2.3040   -0.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6211   -0.3499    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    0.0090   -0.0407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    0.1639    0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890   -0.1193    1.6276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905    0.6758   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946    0.9354   -1.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -0.1674   -2.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5614   -1.3339   -2.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401   -1.3974   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267   -0.0757   -0.4149 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    0.5469   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    1.7590    0.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331    0.2635   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756   -0.9262   -0.8208 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4531    0.2025    1.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9189    0.0613    1.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5196    0.0738    2.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8576    0.0272    2.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6709   -0.0383    1.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1570   -0.0570    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650   -0.0058    0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.0506    1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0229    1.3357    2.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054    1.8192    0.0402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2827    3.1012    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5112    4.2245    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0821    5.4893    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4332    5.6245    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0513    6.9187    0.0082 N   0  0  0  0  0  4  0  0  0  0  0  0
   -7.3095    7.0216   -0.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3179    8.0703    0.0432 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2058    4.4818   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6629    3.2308   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1274   -4.9137    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5652   -5.1040    2.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4000   -7.0216   -0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1373   -7.7217    0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -3.3086    0.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352   -3.3492    0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8076   -2.3925   -1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5906   -2.4366   -1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6171   -1.0183    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1144   -0.2625   -0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3604   -0.8523    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5270    0.1525   -1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.7365    0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005    1.3892   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3464    0.2619   -3.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -0.4732   -3.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549   -2.2802   -2.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834   -1.5321   -2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8731   -2.0882   -0.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1918   -1.8983   -0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3528    1.1253   -0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3659   -1.7695   -0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -0.9062   -1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    1.0921    1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520   -0.6812    1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8679    0.1221    3.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3021    0.0213    3.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7433   -0.0742    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7488   -0.0885   -0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310   -0.0049   -0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184    1.4010   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113    4.1929    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153    6.3617    0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2864    4.5958   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590    2.3066   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  8 29  1  0
 29 30  2  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
 36 37  2  0
 36 38  1  0
 35 39  1  0
 39 40  2  0
 17 12  1  0
 28 23  1  0
 40 32  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  7 49  1  0
  7 50  1  0
  8 51  1  0
  9 52  1  0
 12 53  1  0
 13 54  1  0
 13 55  1  0
 14 56  1  0
 14 57  1  0
 15 58  1  0
 15 59  1  0
 16 60  1  0
 16 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 24 67  1  0
 25 68  1  0
 26 69  1  0
 27 70  1  0
 28 71  1  0
 31 72  1  0
 33 73  1  0
 34 74  1  0
 39 75  1  0
 40 76  1  0
M  CHG  2  36   1  38  -1
M  END

  Mrv1652309112113112D          

 40 42  0  0  0  0            999 V2000
    1.4289    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8579    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
 15 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  4 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
 32 40  1  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
> <DATABASE_ID>
HMDB0253010

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H36N8O5/c28-21(17-18-7-2-1-3-8-18)26(38)34-16-5-4-10-23(34)25(37)33-22(9-6-15-31-27(29)30)24(36)32-19-11-13-20(14-12-19)35(39)40/h1-3,7-8,11-14,21-23H,4-6,9-10,15-17,28H2,(H,32,36)(H,33,37)(H4,29,30,31)

> <INCHI_KEY>
YDMBNDUHUNWWRP-UHFFFAOYSA-N

> <FORMULA>
C27H36N8O5

> <MOLECULAR_WEIGHT>
552.636

> <EXACT_MASS>
552.280866291

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
56.686344127799714

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[1-(2-amino-3-phenylpropanoyl)piperidin-2-yl]formamido}-5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)pentanamide

> <ALOGPS_LOGP>
1.31

> <JCHEM_LOGP>
0.8797021471885117

> <ALOGPS_LOGS>
-4.49

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.736141157378114

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.98689690030196

> <JCHEM_PKA_STRONGEST_BASIC>
10.803481271770387

> <JCHEM_POLAR_SURFACE_AREA>
212.07

> <JCHEM_REFRACTIVITY>
149.73199999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.79e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[1-(2-amino-3-phenylpropanoyl)piperidin-2-yl]formamido}-5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)pentanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0253010
     RDKit          3D
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide
 76 78  0  0  0  0  0  0  0  0999 V2000
   -5.1312   -5.1561    1.4553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4597   -5.5808    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6534   -6.8734   -0.2065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6727   -4.7334   -0.3499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5972   -3.4202    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6479   -2.3040   -0.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6917   -0.9577   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6211   -0.3499    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    0.0090   -0.0407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    0.1639    0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890   -0.1193    1.6276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905    0.6758   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946    0.9354   -1.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -0.1674   -2.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5614   -1.3339   -2.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401   -1.3974   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267   -0.0757   -0.4149 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    0.5469   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    1.7590    0.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331    0.2635   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756   -0.9262   -0.8208 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4531    0.2025    1.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9189    0.0613    1.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5196    0.0738    2.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8576    0.0272    2.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6709   -0.0383    1.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1570   -0.0570    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650   -0.0058    0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.0506    1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0229    1.3357    2.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054    1.8192    0.0402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2827    3.1012    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5112    4.2245    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0821    5.4893    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4332    5.6245    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0513    6.9187    0.0082 N   0  0  0  0  0  4  0  0  0  0  0  0
   -7.3095    7.0216   -0.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3179    8.0703    0.0432 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2058    4.4818   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6629    3.2308   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1274   -4.9137    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5652   -5.1040    2.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4000   -7.0216   -0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1373   -7.7217    0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -3.3086    0.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352   -3.3492    0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8076   -2.3925   -1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5906   -2.4366   -1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6171   -1.0183    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1144   -0.2625   -0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3604   -0.8523    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5270    0.1525   -1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.7365    0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005    1.3892   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2511    1.8285   -2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3464    0.2619   -3.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -0.4732   -3.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549   -2.2802   -2.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834   -1.5321   -2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8731   -2.0882   -0.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1918   -1.8983   -0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3528    1.1253   -0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3659   -1.7695   -0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -0.9062   -1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    1.0921    1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520   -0.6812    1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8679    0.1221    3.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3021    0.0213    3.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7433   -0.0742    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7488   -0.0885   -0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310   -0.0049   -0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184    1.4010   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113    4.1929    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153    6.3617    0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2864    4.5958   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590    2.3066   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  8 29  1  0
 29 30  2  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
 36 37  2  0
 36 38  1  0
 35 39  1  0
 39 40  2  0
 17 12  1  0
 28 23  1  0
 40 32  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  7 49  1  0
  7 50  1  0
  8 51  1  0
  9 52  1  0
 12 53  1  0
 13 54  1  0
 13 55  1  0
 14 56  1  0
 14 57  1  0
 15 58  1  0
 15 59  1  0
 16 60  1  0
 16 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 24 67  1  0
 25 68  1  0
 26 69  1  0
 27 70  1  0
 28 71  1  0
 31 72  1  0
 33 73  1  0
 34 74  1  0
 39 75  1  0
 40 76  1  0
M  CHG  2  36   1  38  -1
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       2.667  12.320   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  12.320   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       0.000  10.780   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       1.334  10.010   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.667   7.700   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       0.000   7.700   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667   3.080   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -2.667   1.540   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0      -5.335   1.540   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       1.334   5.390   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0       1.334   3.850   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       2.667   3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       6.668   0.770   0.000  0.00  0.00           N+1
HETATM   28  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O-1
HETATM   30  C   UNK     0      -1.334  10.010   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.001  10.010   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -2.667   7.700   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -5.335   7.700   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0      -2.667  12.320   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   30                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   10   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25   21                                                       
CONECT   27   24   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30    4   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   40                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   34                                                       
CONECT   40   32                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

COMPND    HMDB0253010
HETATM    1  N1  UNL     1      -5.131  -5.156   1.455  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.460  -5.581   0.282  1.00  0.00           C  
HETATM    3  N2  UNL     1      -4.653  -6.873  -0.207  1.00  0.00           N  
HETATM    4  N3  UNL     1      -3.673  -4.733  -0.350  1.00  0.00           N  
HETATM    5  C2  UNL     1      -3.597  -3.420   0.254  1.00  0.00           C  
HETATM    6  C3  UNL     1      -3.648  -2.304  -0.768  1.00  0.00           C  
HETATM    7  C4  UNL     1      -3.692  -0.958  -0.148  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.621  -0.350   0.582  1.00  0.00           C  
HETATM    9  N4  UNL     1      -1.397   0.009  -0.041  1.00  0.00           N  
HETATM   10  C6  UNL     1      -0.105   0.164   0.426  1.00  0.00           C  
HETATM   11  O1  UNL     1       0.189  -0.119   1.628  1.00  0.00           O  
HETATM   12  C7  UNL     1       0.991   0.676  -0.415  1.00  0.00           C  
HETATM   13  C8  UNL     1       0.595   0.935  -1.806  1.00  0.00           C  
HETATM   14  C9  UNL     1       0.807  -0.167  -2.773  1.00  0.00           C  
HETATM   15  C10 UNL     1       1.561  -1.334  -2.335  1.00  0.00           C  
HETATM   16  C11 UNL     1       2.040  -1.397  -0.909  1.00  0.00           C  
HETATM   17  N5  UNL     1       2.227  -0.076  -0.415  1.00  0.00           N  
HETATM   18  C12 UNL     1       3.401   0.547  -0.060  1.00  0.00           C  
HETATM   19  O2  UNL     1       3.186   1.759   0.504  1.00  0.00           O  
HETATM   20  C13 UNL     1       4.833   0.264  -0.127  1.00  0.00           C  
HETATM   21  N6  UNL     1       5.176  -0.926  -0.821  1.00  0.00           N  
HETATM   22  C14 UNL     1       5.453   0.203   1.239  1.00  0.00           C  
HETATM   23  C15 UNL     1       6.919   0.061   1.262  1.00  0.00           C  
HETATM   24  C16 UNL     1       7.520   0.074   2.535  1.00  0.00           C  
HETATM   25  C17 UNL     1       8.858   0.027   2.757  1.00  0.00           C  
HETATM   26  C18 UNL     1       9.671  -0.038   1.623  1.00  0.00           C  
HETATM   27  C19 UNL     1       9.157  -0.057   0.361  1.00  0.00           C  
HETATM   28  C20 UNL     1       7.765  -0.006   0.183  1.00  0.00           C  
HETATM   29  C21 UNL     1      -3.150   1.051   1.083  1.00  0.00           C  
HETATM   30  O3  UNL     1      -3.023   1.336   2.272  1.00  0.00           O  
HETATM   31  N7  UNL     1      -3.705   1.819   0.040  1.00  0.00           N  
HETATM   32  C22 UNL     1      -4.283   3.101   0.093  1.00  0.00           C  
HETATM   33  C23 UNL     1      -3.511   4.224   0.178  1.00  0.00           C  
HETATM   34  C24 UNL     1      -4.082   5.489   0.158  1.00  0.00           C  
HETATM   35  C25 UNL     1      -5.433   5.625   0.055  1.00  0.00           C  
HETATM   36  N8  UNL     1      -6.051   6.919   0.008  1.00  0.00           N1+
HETATM   37  O4  UNL     1      -7.310   7.022  -0.083  1.00  0.00           O  
HETATM   38  O5  UNL     1      -5.318   8.070   0.043  1.00  0.00           O1-
HETATM   39  C26 UNL     1      -6.206   4.482  -0.024  1.00  0.00           C  
HETATM   40  C27 UNL     1      -5.663   3.231  -0.008  1.00  0.00           C  
HETATM   41  H1  UNL     1      -6.127  -4.914   1.476  1.00  0.00           H  
HETATM   42  H2  UNL     1      -4.565  -5.104   2.326  1.00  0.00           H  
HETATM   43  H3  UNL     1      -5.400  -7.022  -0.945  1.00  0.00           H  
HETATM   44  H4  UNL     1      -4.137  -7.722   0.093  1.00  0.00           H  
HETATM   45  H5  UNL     1      -4.569  -3.309   0.825  1.00  0.00           H  
HETATM   46  H6  UNL     1      -2.735  -3.349   0.905  1.00  0.00           H  
HETATM   47  H7  UNL     1      -2.808  -2.393  -1.508  1.00  0.00           H  
HETATM   48  H8  UNL     1      -4.591  -2.437  -1.358  1.00  0.00           H  
HETATM   49  H9  UNL     1      -4.617  -1.018   0.573  1.00  0.00           H  
HETATM   50  H10 UNL     1      -4.114  -0.262  -0.936  1.00  0.00           H  
HETATM   51  H11 UNL     1      -2.360  -0.852   1.577  1.00  0.00           H  
HETATM   52  H12 UNL     1      -1.527   0.153  -1.130  1.00  0.00           H  
HETATM   53  H13 UNL     1       1.237   1.736   0.063  1.00  0.00           H  
HETATM   54  H14 UNL     1      -0.400   1.389  -1.858  1.00  0.00           H  
HETATM   55  H15 UNL     1       1.251   1.829  -2.138  1.00  0.00           H  
HETATM   56  H16 UNL     1       1.346   0.262  -3.677  1.00  0.00           H  
HETATM   57  H17 UNL     1      -0.168  -0.473  -3.209  1.00  0.00           H  
HETATM   58  H18 UNL     1       0.955  -2.280  -2.491  1.00  0.00           H  
HETATM   59  H19 UNL     1       2.483  -1.532  -2.965  1.00  0.00           H  
HETATM   60  H20 UNL     1       2.873  -2.088  -0.779  1.00  0.00           H  
HETATM   61  H21 UNL     1       1.192  -1.898  -0.332  1.00  0.00           H  
HETATM   62  H22 UNL     1       5.353   1.125  -0.657  1.00  0.00           H  
HETATM   63  H23 UNL     1       5.366  -1.769  -0.299  1.00  0.00           H  
HETATM   64  H24 UNL     1       5.218  -0.906  -1.834  1.00  0.00           H  
HETATM   65  H25 UNL     1       5.156   1.092   1.807  1.00  0.00           H  
HETATM   66  H26 UNL     1       5.052  -0.681   1.820  1.00  0.00           H  
HETATM   67  H27 UNL     1       6.868   0.122   3.424  1.00  0.00           H  
HETATM   68  H28 UNL     1       9.302   0.021   3.738  1.00  0.00           H  
HETATM   69  H29 UNL     1      10.743  -0.074   1.737  1.00  0.00           H  
HETATM   70  H30 UNL     1       9.749  -0.088  -0.552  1.00  0.00           H  
HETATM   71  H31 UNL     1       7.331  -0.005  -0.785  1.00  0.00           H  
HETATM   72  H32 UNL     1      -3.618   1.401  -0.963  1.00  0.00           H  
HETATM   73  H33 UNL     1      -2.411   4.193   0.263  1.00  0.00           H  
HETATM   74  H34 UNL     1      -3.415   6.362   0.225  1.00  0.00           H  
HETATM   75  H35 UNL     1      -7.286   4.596  -0.099  1.00  0.00           H  
HETATM   76  H36 UNL     1      -6.259   2.307  -0.069  1.00  0.00           H  
CONECT    1    2   41   42
CONECT    2    3    4    4
CONECT    3   43   44
CONECT    4    5
CONECT    5    6   45   46
CONECT    6    7   47   48
CONECT    7    8   49   50
CONECT    8    9   29   51
CONECT    9   10   52
CONECT   10   11   11   12
CONECT   12   13   17   53
CONECT   13   14   54   55
CONECT   14   15   56   57
CONECT   15   16   58   59
CONECT   16   17   60   61
CONECT   17   18
CONECT   18   19   19   20
CONECT   20   21   22   62
CONECT   21   63   64
CONECT   22   23   65   66
CONECT   23   24   24   28
CONECT   24   25   67
CONECT   25   26   26   68
CONECT   26   27   69
CONECT   27   28   28   70
CONECT   28   71
CONECT   29   30   30   31
CONECT   31   32   72
CONECT   32   33   33   40
CONECT   33   34   73
CONECT   34   35   35   74
CONECT   35   36   39
CONECT   36   37   37   38
CONECT   39   40   40   75
CONECT   40   76
END

HMDB0253010
     RDKit          3D
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide
 76 78  0  0  0  0  0  0  0  0999 V2000
   -5.1312   -5.1561    1.4553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4597   -5.5808    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6534   -6.8734   -0.2065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6727   -4.7334   -0.3499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5972   -3.4202    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6479   -2.3040   -0.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6917   -0.9577   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6211   -0.3499    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    0.0090   -0.0407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    0.1639    0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890   -0.1193    1.6276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905    0.6758   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946    0.9354   -1.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -0.1674   -2.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5614   -1.3339   -2.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401   -1.3974   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267   -0.0757   -0.4149 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    0.5469   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    1.7590    0.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331    0.2635   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756   -0.9262   -0.8208 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4531    0.2025    1.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9189    0.0613    1.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5196    0.0738    2.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8576    0.0272    2.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6709   -0.0383    1.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1570   -0.0570    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650   -0.0058    0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.0506    1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0229    1.3357    2.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054    1.8192    0.0402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2827    3.1012    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5112    4.2245    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0821    5.4893    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4332    5.6245    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0513    6.9187    0.0082 N   0  0  0  0  0  4  0  0  0  0  0  0
   -7.3095    7.0216   -0.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3179    8.0703    0.0432 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.2058    4.4818   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6629    3.2308   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1274   -4.9137    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5652   -5.1040    2.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4000   -7.0216   -0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1373   -7.7217    0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -3.3086    0.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352   -3.3492    0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8076   -2.3925   -1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5906   -2.4366   -1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6171   -1.0183    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1144   -0.2625   -0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3604   -0.8523    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5270    0.1525   -1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.7365    0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005    1.3892   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2511    1.8285   -2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3464    0.2619   -3.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -0.4732   -3.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549   -2.2802   -2.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834   -1.5321   -2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8731   -2.0882   -0.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1918   -1.8983   -0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3528    1.1253   -0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3659   -1.7695   -0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -0.9062   -1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    1.0921    1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520   -0.6812    1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8679    0.1221    3.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3021    0.0213    3.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7433   -0.0742    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7488   -0.0885   -0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310   -0.0049   -0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184    1.4010   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113    4.1929    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153    6.3617    0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2864    4.5958   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590    2.3066   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  8 29  1  0
 29 30  2  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
 36 37  2  0
 36 38  1  0
 35 39  1  0
 39 40  2  0
 17 12  1  0
 28 23  1  0
 40 32  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  7 49  1  0
  7 50  1  0
  8 51  1  0
  9 52  1  0
 12 53  1  0
 13 54  1  0
 13 55  1  0
 14 56  1  0
 14 57  1  0
 15 58  1  0
 15 59  1  0
 16 60  1  0
 16 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 24 67  1  0
 25 68  1  0
 26 69  1  0
 27 70  1  0
 28 71  1  0
 31 72  1  0
 33 73  1  0
 34 74  1  0
 39 75  1  0
 40 76  1  0
M  CHG  2  36   1  38  -1
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
1-(2-Amino-3-phenylpropanoyl)-N-{4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl}piperidine-2-carboximidate	HMDB
S 2238 Dihydrochloride	HMDB
H-Phe-pip-arg-p-nitroanilide	HMDB
Chromogenic substrate S-2238	HMDB
H-D-Phe-pip-arg-pna	HMDB
H-D-Phenylalanyl-pip-arg-p-nitroanilide	HMDB
H-Phe-pip-arg-pna	HMDB
H-D-Phenylalanyl-L-pipecolyl-arginine-nitroanilide	HMDB

Chemical Formula

C₂₇H₃₆N₈O₅

Average Molecular Weight

552.636

Monoisotopic Molecular Weight

552.280866291

IUPAC Name

2-{[1-(2-amino-3-phenylpropanoyl)piperidin-2-yl]formamido}-5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)pentanamide

Traditional Name

2-{[1-(2-amino-3-phenylpropanoyl)piperidin-2-yl]formamido}-5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)pentanamide

CAS Registry Number

Not Available

SMILES

NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

InChI Identifier

InChI=1S/C27H36N8O5/c28-21(17-18-7-2-1-3-8-18)26(38)34-16-5-4-10-23(34)25(37)33-22(9-6-15-31-27(29)30)24(36)32-19-11-13-20(14-12-19)35(39)40/h1-3,7-8,11-14,21-23H,4-6,9-10,15-17,28H2,(H,32,36)(H,33,37)(H4,29,30,31)

InChI Key

YDMBNDUHUNWWRP-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
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
N-acyl-piperidine
Nitrobenzene
Anilide
Piperidinecarboxamide
2-piperidinecarboxamide
N-arylamide
Nitroaromatic compound
Aralkylamine
Monocyclic benzene moiety
Piperidine
Fatty amide
Fatty acyl
Benzenoid
Tertiary carboxylic acid amide
C-nitro compound
Secondary carboxylic acid amide
Guanidine
Carboxamide group
Organic nitro compound
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Allyl-type 1,3-dipolar organic compound
Carboximidamide
Organic oxoazanium
Primary aliphatic amine
Amine
Organic oxide
Organic salt
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organic zwitterion
Organic nitrogen compound
Primary amine
Organonitrogen compound
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	1.31	ALOGPS
logP	0.88	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	11.99	ChemAxon
pKa (Strongest Basic)	10.8	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	212.07 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	149.73 m³·mol⁻¹	ChemAxon
Polarizability	56.69 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	213.199	30932474
DeepCCS	[M-H]-	210.841	30932474
DeepCCS	[M-2H]-	243.725	30932474
DeepCCS	[M+Na]+	219.292	30932474
AllCCS	[M+H]+	224.8	32859911
AllCCS	[M+H-H2O]+	223.6	32859911
AllCCS	[M+NH4]+	225.9	32859911
AllCCS	[M+Na]+	226.2	32859911
AllCCS	[M-H]-	213.0	32859911
AllCCS	[M+Na-2H]-	215.1	32859911
AllCCS	[M+HCOO]-	217.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide	NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O	5170.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide	NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O	4033.1	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide	NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O	5346.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #1	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5124.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #1	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4400.6	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #1	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8190.3	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5203.4	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4393.0	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #2	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8178.3	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #3	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4930.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #3	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4281.2	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #3	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8439.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	4883.4	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	4215.9	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	8398.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5167.7	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4387.9	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7714.6	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #2	C[Si](C)(C)N(C(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	5066.9	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #2	C[Si](C)(C)N(C(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4455.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #2	C[Si](C)(C)N(C(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	8007.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4896.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4311.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7924.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #4	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4842.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #4	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4207.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #4	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7888.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	5231.6	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4303.0	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	7592.1	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #6	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	5096.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #6	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4455.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #6	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7953.1	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4979.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4292.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #7	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	7951.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4929.8	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4181.5	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7893.3	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4694.6	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4130.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	8163.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	5186.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4280.8	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	7033.5	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C	5035.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C	4166.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C	7213.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	4994.5	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	4029.9	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	7139.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #12	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4909.8	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #12	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4347.5	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #12	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7709.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #13	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	4845.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #13	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	4205.0	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #13	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	7649.5	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4745.5	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4066.0	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	7629.0	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5041.8	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4433.0	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7460.1	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4963.8	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4308.4	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	7380.4	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5110.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4440.9	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7505.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4885.6	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4158.9	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7355.1	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #6	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4916.9	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #6	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4399.1	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #6	C[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7697.1	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #7	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4858.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #7	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4292.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #7	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7667.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C	4693.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C	4115.0	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C	7577.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	5068.7	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4352.9	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	7130.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	5030.8	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4342.1	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	6547.6	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4930.5	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4249.8	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7146.5	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #11	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4769.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #11	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4220.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #11	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7358.3	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #12	C[Si](C)(C)N(C(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4985.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #12	C[Si](C)(C)N(C(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4401.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #12	C[Si](C)(C)N(C(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6667.0	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #13	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4903.5	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #13	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4219.6	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #13	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6783.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4842.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4092.2	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6718.0	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #15	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C	4827.7	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #15	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C	3933.2	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #15	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)N[Si](C)(C)C	6811.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4732.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4109.8	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7398.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5018.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4201.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6598.1	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	5154.7	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4315.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	6732.0	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	4957.9	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	4049.5	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	6600.0	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #5	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	5086.7	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #5	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4495.2	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #5	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7259.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4880.9	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4350.5	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7144.1	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4822.8	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4200.6	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7123.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4725.6	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4081.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #8	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	7030.9	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4979.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4389.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,4TMS,isomer #9	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7160.3	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5295.9	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4577.1	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8105.9	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5399.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4561.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8073.3	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5160.4	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4467.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8336.9	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	5125.4	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	4404.6	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	8300.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5513.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4702.5	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7587.0	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5482.3	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4772.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7878.5	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5276.5	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4657.4	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7774.5	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5228.9	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4561.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7748.0	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	5619.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	4610.6	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	7310.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5470.9	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4758.4	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7812.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	5371.8	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	4607.1	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	7796.5	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5336.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4501.6	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7746.5	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	5088.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4471.9	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	8005.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	5739.3	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	4750.4	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	6765.3	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5583.5	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4626.4	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6943.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5553.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4507.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6891.4	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5450.3	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4783.0	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7531.2	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	5408.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	4671.6	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1	7484.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	5303.1	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	4532.5	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	7467.6	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5589.9	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4891.3	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7296.0	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5462.7	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4778.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7237.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5711.8	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4879.9	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7319.8	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5422.3	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4651.7	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7225.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5509.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4863.0	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7520.9	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	5468.2	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4779.1	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCCN1C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7505.3	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5221.5	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4624.6	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=CC=CC=C1)C(=O)N1CCCCC1C(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7436.7	Standard polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5646.0	Semi standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4792.1	Standard non polar	33892256
D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6855.4	Standard polar	33892256

Spectra

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

10678119

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13020984

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 D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide (HMDB0253010)

MOL for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

3D MOL for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

3D SDF for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

3D-SDF for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

PDB for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

3D PDB for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

SMILES for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

INCHI for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

Structure for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

3D Structure for HMDB0253010 (D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized