Jump To Section:

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

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 00:24:23 UTC

Update Date

2021-09-26 22:57:04 UTC

HMDB ID

HMDB0247398

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

Description

(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide, also known as 5-carbamimidamido-N-heptyl-2-[(1-hydroxy-2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-3-phenylpropylidene)amino]pentanimidate, 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 (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2r)-n-[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide 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


  Mrv1652309112102242D          

 37 38  0  0  0  0            999 V2000
    3.5897    4.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3597    5.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7712    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4128    4.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1828    4.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8244    4.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    4.3893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359    3.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1076    3.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0059    4.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1342    4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9041    5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0325    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8024    6.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307    7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7007    7.5010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2891    7.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6475    3.6485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4174    3.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5458    4.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0590    3.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307    2.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1608    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0325    1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6209    1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7492    2.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5192    2.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8290    3.7225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9573    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3157    5.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7272    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4196    4.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0602    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7639    5.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9401    5.6309    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 33 37  1  0  0  0  0
M  END

HMDB0247398
     RDKit          3D
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan...
 82 83  0  0  0  0  0  0  0  0999 V2000
    9.1276   -3.2841    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196   -2.0332    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9607   -2.1289   -1.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1576   -0.9486   -1.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8781   -0.8504   -1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246   -2.0712   -1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337   -1.9703   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427   -0.8367   -0.8160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7119   -0.5935   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989   -1.3432    0.7203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616    0.5935   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288    1.7817   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800    3.1105   -0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0143    3.4705    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038    4.8103   -0.3484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543    5.8496    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950    5.6926    1.3240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    7.1431   -0.0461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218    0.5366    0.1927 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551    0.0902   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657   -0.2693   -1.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824    0.0264    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106    1.3818    1.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3299    1.3285    1.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5454    1.5662    1.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7144    1.5287    2.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6106    1.2426    3.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845    1.0007    4.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354    1.0474    3.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199   -0.4473   -0.2382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444   -1.6607    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0677   -2.3242    1.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7142   -2.2211   -0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4645   -2.5173   -2.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1765   -3.8557   -2.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9543   -4.5190   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0887   -3.4715    0.0357 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3994   -4.1071    0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7897   -3.5266   -0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070   -3.1034    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8901   -1.1078    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.0969    0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9223   -2.1767   -1.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4575   -3.0836   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087   -1.0395   -2.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7910   -0.0488   -1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769   -0.6962    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332    0.0755   -1.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5957   -2.9337   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8260   -2.2776   -2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -2.9410   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9469   -1.8334    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333   -0.2443   -1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149    0.4063   -1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    1.8311    0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6659    1.5824   -1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9730    3.8738   -0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9981    3.2298   -1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854    2.8207   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2715    3.5562    1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8546    6.0558    1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693    5.2277    2.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293    7.4248   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    7.8704    0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.8271    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5495   -0.7183    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.0922    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926    1.7681    1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401    1.7913    0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6807    1.7124    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5324    1.2142    3.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3232    0.7776    5.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756    0.8531    3.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2885    0.1056   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6032   -1.5608   -0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9733   -1.7907   -2.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046   -2.6071   -2.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7564   -4.3889   -3.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2732   -3.6980   -2.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7693   -5.2788   -0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9567   -4.9923   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4588   -3.6993    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 29 24  1  0
 37 33  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  4 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  6 50  1  0
  7 51  1  0
  7 52  1  0
  8 53  1  0
 11 54  1  0
 12 55  1  0
 12 56  1  0
 13 57  1  0
 13 58  1  0
 14 59  1  0
 14 60  1  0
 17 61  1  0
 17 62  1  0
 18 63  1  0
 18 64  1  0
 19 65  1  0
 22 66  1  0
 23 67  1  0
 23 68  1  0
 25 69  1  0
 26 70  1  0
 27 71  1  0
 28 72  1  0
 29 73  1  0
 30 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 37 82  1  0
M  END


  Mrv1652309112102242D          

 37 38  0  0  0  0            999 V2000
    3.5897    4.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3597    5.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7712    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4128    4.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1828    4.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8244    4.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    4.3893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359    3.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1076    3.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0059    4.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1342    4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9041    5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0325    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8024    6.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307    7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7007    7.5010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2891    7.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6475    3.6485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4174    3.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5458    4.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0590    3.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307    2.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1608    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0325    1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6209    1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7492    2.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5192    2.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8290    3.7225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9573    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3157    5.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7272    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4196    4.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0602    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7639    5.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9401    5.6309    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247398

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1

> <INCHI_IDENTIFIER>
InChI=1S/C27H45N7O3/c1-2-3-4-5-9-16-31-24(35)22(15-11-18-32-27(28)29)33-26(37)23(19-20-12-7-6-8-13-20)34-25(36)21-14-10-17-30-21/h6-8,12-13,21-23,30H,2-5,9-11,14-19H2,1H3,(H,31,35)(H,33,37)(H,34,36)(H4,28,29,32)

> <INCHI_KEY>
QQJQACOIANVAPI-UHFFFAOYSA-N

> <FORMULA>
C27H45N7O3

> <MOLECULAR_WEIGHT>
515.703

> <EXACT_MASS>
515.358388337

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
59.278828951090595

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-[(diaminomethylidene)amino]-N-heptyl-2-{3-phenyl-2-[(pyrrolidin-2-yl)formamido]propanamido}pentanamide

> <ALOGPS_LOGP>
1.80

> <JCHEM_LOGP>
1.3883927400683478

> <ALOGPS_LOGS>
-4.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.899350581714522

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.27637208425341

> <JCHEM_PKA_STRONGEST_BASIC>
10.91526541347502

> <JCHEM_POLAR_SURFACE_AREA>
163.73

> <JCHEM_REFRACTIVITY>
144.8066

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-[(diaminomethylidene)amino]-N-heptyl-2-[3-phenyl-2-(pyrrolidin-2-ylformamido)propanamido]pentanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0247398
     RDKit          3D
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan...
 82 83  0  0  0  0  0  0  0  0999 V2000
    9.1276   -3.2841    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196   -2.0332    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9607   -2.1289   -1.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1576   -0.9486   -1.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8781   -0.8504   -1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246   -2.0712   -1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337   -1.9703   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427   -0.8367   -0.8160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7119   -0.5935   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989   -1.3432    0.7203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616    0.5935   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288    1.7817   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800    3.1105   -0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0143    3.4705    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038    4.8103   -0.3484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543    5.8496    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950    5.6926    1.3240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    7.1431   -0.0461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218    0.5366    0.1927 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551    0.0902   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657   -0.2693   -1.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824    0.0264    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106    1.3818    1.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3299    1.3285    1.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5454    1.5662    1.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7144    1.5287    2.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6106    1.2426    3.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845    1.0007    4.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354    1.0474    3.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199   -0.4473   -0.2382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444   -1.6607    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0677   -2.3242    1.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7142   -2.2211   -0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4645   -2.5173   -2.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1765   -3.8557   -2.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9543   -4.5190   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0887   -3.4715    0.0357 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3994   -4.1071    0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7897   -3.5266   -0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070   -3.1034    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8901   -1.1078    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.0969    0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9223   -2.1767   -1.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4575   -3.0836   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087   -1.0395   -2.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7910   -0.0488   -1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769   -0.6962    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332    0.0755   -1.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5957   -2.9337   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8260   -2.2776   -2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -2.9410   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9469   -1.8334    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333   -0.2443   -1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149    0.4063   -1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    1.8311    0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6659    1.5824   -1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9730    3.8738   -0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9981    3.2298   -1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854    2.8207   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2715    3.5562    1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8546    6.0558    1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693    5.2277    2.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293    7.4248   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    7.8704    0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.8271    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5495   -0.7183    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.0922    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926    1.7681    1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401    1.7913    0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6807    1.7124    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5324    1.2142    3.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3232    0.7776    5.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756    0.8531    3.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2885    0.1056   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6032   -1.5608   -0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9733   -1.7907   -2.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046   -2.6071   -2.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7564   -4.3889   -3.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2732   -3.6980   -2.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7693   -5.2788   -0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9567   -4.9923   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4588   -3.6993    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 29 24  1  0
 37 33  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  4 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  6 50  1  0
  7 51  1  0
  7 52  1  0
  8 53  1  0
 11 54  1  0
 12 55  1  0
 12 56  1  0
 13 57  1  0
 13 58  1  0
 14 59  1  0
 14 60  1  0
 17 61  1  0
 17 62  1  0
 18 63  1  0
 18 64  1  0
 19 65  1  0
 22 66  1  0
 23 67  1  0
 23 68  1  0
 25 69  1  0
 26 70  1  0
 27 71  1  0
 28 72  1  0
 29 73  1  0
 30 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 37 82  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       6.701   8.885   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.138   9.438   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.773   9.023   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.971   8.055   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.408   8.608   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.606   7.640   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      16.043   8.193   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      17.240   7.225   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      17.001   5.704   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      18.678   7.779   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.917   9.300   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.354   9.853   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      20.594  11.374   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      22.031  11.927   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      22.271  13.449   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      23.708  14.002   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      21.073  14.417   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      19.875   6.810   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      21.313   7.364   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      21.552   8.885   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      22.510   6.396   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      22.271   4.874   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      20.833   4.321   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      20.594   2.800   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.157   2.247   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      17.959   3.215   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.199   4.736   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      19.636   5.289   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      23.947   6.949   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      24.187   8.470   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      22.989   9.438   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      25.624   9.023   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      26.917   8.186   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      28.112   9.156   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      27.559  10.593   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      26.021  10.511   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   11   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   30                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   24                                                       
CONECT   30   22   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   37                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   33                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   76    0
END

COMPND    HMDB0247398
HETATM    1  C1  UNL     1       9.128  -3.284   0.487  1.00  0.00           C  
HETATM    2  C2  UNL     1       8.320  -2.033   0.158  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.961  -2.129  -1.322  1.00  0.00           C  
HETATM    4  C4  UNL     1       7.158  -0.949  -1.780  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.878  -0.850  -1.005  1.00  0.00           C  
HETATM    6  C6  UNL     1       5.025  -2.071  -1.171  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.734  -1.970  -0.389  1.00  0.00           C  
HETATM    8  N1  UNL     1       2.943  -0.837  -0.816  1.00  0.00           N  
HETATM    9  C8  UNL     1       1.712  -0.594  -0.192  1.00  0.00           C  
HETATM   10  O1  UNL     1       1.299  -1.343   0.720  1.00  0.00           O  
HETATM   11  C9  UNL     1       0.862   0.594  -0.623  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.729   1.782  -0.444  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.180   3.111  -0.789  1.00  0.00           C  
HETATM   14  C12 UNL     1      -0.014   3.470   0.035  1.00  0.00           C  
HETATM   15  N2  UNL     1      -0.504   4.810  -0.348  1.00  0.00           N  
HETATM   16  C13 UNL     1      -0.054   5.850   0.282  1.00  0.00           C  
HETATM   17  N3  UNL     1       0.895   5.693   1.324  1.00  0.00           N  
HETATM   18  N4  UNL     1      -0.489   7.143  -0.046  1.00  0.00           N  
HETATM   19  N5  UNL     1      -0.322   0.537   0.193  1.00  0.00           N  
HETATM   20  C14 UNL     1      -1.555   0.090  -0.346  1.00  0.00           C  
HETATM   21  O2  UNL     1      -1.666  -0.269  -1.547  1.00  0.00           O  
HETATM   22  C15 UNL     1      -2.782   0.026   0.493  1.00  0.00           C  
HETATM   23  C16 UNL     1      -3.111   1.382   1.086  1.00  0.00           C  
HETATM   24  C17 UNL     1      -4.330   1.329   1.921  1.00  0.00           C  
HETATM   25  C18 UNL     1      -5.545   1.566   1.328  1.00  0.00           C  
HETATM   26  C19 UNL     1      -6.714   1.529   2.060  1.00  0.00           C  
HETATM   27  C20 UNL     1      -6.611   1.243   3.411  1.00  0.00           C  
HETATM   28  C21 UNL     1      -5.384   1.001   4.020  1.00  0.00           C  
HETATM   29  C22 UNL     1      -4.235   1.047   3.253  1.00  0.00           C  
HETATM   30  N6  UNL     1      -3.920  -0.447  -0.238  1.00  0.00           N  
HETATM   31  C23 UNL     1      -4.544  -1.661   0.109  1.00  0.00           C  
HETATM   32  O3  UNL     1      -4.068  -2.324   1.091  1.00  0.00           O  
HETATM   33  C24 UNL     1      -5.714  -2.221  -0.585  1.00  0.00           C  
HETATM   34  C25 UNL     1      -5.464  -2.517  -2.047  1.00  0.00           C  
HETATM   35  C26 UNL     1      -6.176  -3.856  -2.269  1.00  0.00           C  
HETATM   36  C27 UNL     1      -5.954  -4.519  -0.944  1.00  0.00           C  
HETATM   37  N7  UNL     1      -6.089  -3.471   0.036  1.00  0.00           N  
HETATM   38  H1  UNL     1       8.399  -4.107   0.610  1.00  0.00           H  
HETATM   39  H2  UNL     1       9.790  -3.527  -0.365  1.00  0.00           H  
HETATM   40  H3  UNL     1       9.707  -3.103   1.421  1.00  0.00           H  
HETATM   41  H4  UNL     1       8.890  -1.108   0.328  1.00  0.00           H  
HETATM   42  H5  UNL     1       7.392  -2.097   0.754  1.00  0.00           H  
HETATM   43  H6  UNL     1       8.922  -2.177  -1.915  1.00  0.00           H  
HETATM   44  H7  UNL     1       7.457  -3.084  -1.532  1.00  0.00           H  
HETATM   45  H8  UNL     1       7.009  -1.040  -2.862  1.00  0.00           H  
HETATM   46  H9  UNL     1       7.791  -0.049  -1.629  1.00  0.00           H  
HETATM   47  H10 UNL     1       6.077  -0.696   0.071  1.00  0.00           H  
HETATM   48  H11 UNL     1       5.333   0.075  -1.335  1.00  0.00           H  
HETATM   49  H12 UNL     1       5.596  -2.934  -0.732  1.00  0.00           H  
HETATM   50  H13 UNL     1       4.826  -2.278  -2.222  1.00  0.00           H  
HETATM   51  H14 UNL     1       3.191  -2.941  -0.578  1.00  0.00           H  
HETATM   52  H15 UNL     1       3.947  -1.833   0.690  1.00  0.00           H  
HETATM   53  H16 UNL     1       3.333  -0.244  -1.585  1.00  0.00           H  
HETATM   54  H17 UNL     1       0.615   0.406  -1.696  1.00  0.00           H  
HETATM   55  H18 UNL     1       2.155   1.831   0.609  1.00  0.00           H  
HETATM   56  H19 UNL     1       2.666   1.582  -1.055  1.00  0.00           H  
HETATM   57  H20 UNL     1       1.973   3.874  -0.526  1.00  0.00           H  
HETATM   58  H21 UNL     1       0.998   3.230  -1.883  1.00  0.00           H  
HETATM   59  H22 UNL     1      -0.885   2.821  -0.073  1.00  0.00           H  
HETATM   60  H23 UNL     1       0.271   3.556   1.115  1.00  0.00           H  
HETATM   61  H24 UNL     1       1.855   6.056   1.171  1.00  0.00           H  
HETATM   62  H25 UNL     1       0.669   5.228   2.237  1.00  0.00           H  
HETATM   63  H26 UNL     1      -0.729   7.425  -1.029  1.00  0.00           H  
HETATM   64  H27 UNL     1      -0.586   7.870   0.686  1.00  0.00           H  
HETATM   65  H28 UNL     1      -0.262   0.827   1.183  1.00  0.00           H  
HETATM   66  H29 UNL     1      -2.549  -0.718   1.294  1.00  0.00           H  
HETATM   67  H30 UNL     1      -3.196   2.092   0.237  1.00  0.00           H  
HETATM   68  H31 UNL     1      -2.293   1.768   1.727  1.00  0.00           H  
HETATM   69  H32 UNL     1      -5.640   1.791   0.271  1.00  0.00           H  
HETATM   70  H33 UNL     1      -7.681   1.712   1.613  1.00  0.00           H  
HETATM   71  H34 UNL     1      -7.532   1.214   3.982  1.00  0.00           H  
HETATM   72  H35 UNL     1      -5.323   0.778   5.084  1.00  0.00           H  
HETATM   73  H36 UNL     1      -3.276   0.853   3.754  1.00  0.00           H  
HETATM   74  H37 UNL     1      -4.288   0.106  -1.029  1.00  0.00           H  
HETATM   75  H38 UNL     1      -6.603  -1.561  -0.543  1.00  0.00           H  
HETATM   76  H39 UNL     1      -5.973  -1.791  -2.718  1.00  0.00           H  
HETATM   77  H40 UNL     1      -4.405  -2.607  -2.303  1.00  0.00           H  
HETATM   78  H41 UNL     1      -5.756  -4.389  -3.124  1.00  0.00           H  
HETATM   79  H42 UNL     1      -7.273  -3.698  -2.377  1.00  0.00           H  
HETATM   80  H43 UNL     1      -6.769  -5.279  -0.765  1.00  0.00           H  
HETATM   81  H44 UNL     1      -4.957  -4.992  -0.929  1.00  0.00           H  
HETATM   82  H45 UNL     1      -5.459  -3.699   0.862  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3   41   42
CONECT    3    4   43   44
CONECT    4    5   45   46
CONECT    5    6   47   48
CONECT    6    7   49   50
CONECT    7    8   51   52
CONECT    8    9   53
CONECT    9   10   10   11
CONECT   11   12   19   54
CONECT   12   13   55   56
CONECT   13   14   57   58
CONECT   14   15   59   60
CONECT   15   16   16
CONECT   16   17   18
CONECT   17   61   62
CONECT   18   63   64
CONECT   19   20   65
CONECT   20   21   21   22
CONECT   22   23   30   66
CONECT   23   24   67   68
CONECT   24   25   25   29
CONECT   25   26   69
CONECT   26   27   27   70
CONECT   27   28   71
CONECT   28   29   29   72
CONECT   29   73
CONECT   30   31   74
CONECT   31   32   32   33
CONECT   33   34   37   75
CONECT   34   35   76   77
CONECT   35   36   78   79
CONECT   36   37   80   81
CONECT   37   82
END

HMDB0247398
     RDKit          3D
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan...
 82 83  0  0  0  0  0  0  0  0999 V2000
    9.1276   -3.2841    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196   -2.0332    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9607   -2.1289   -1.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1576   -0.9486   -1.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8781   -0.8504   -1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246   -2.0712   -1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337   -1.9703   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427   -0.8367   -0.8160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7119   -0.5935   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989   -1.3432    0.7203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616    0.5935   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288    1.7817   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800    3.1105   -0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0143    3.4705    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038    4.8103   -0.3484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543    5.8496    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950    5.6926    1.3240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    7.1431   -0.0461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218    0.5366    0.1927 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551    0.0902   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657   -0.2693   -1.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824    0.0264    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106    1.3818    1.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3299    1.3285    1.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5454    1.5662    1.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7144    1.5287    2.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6106    1.2426    3.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845    1.0007    4.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354    1.0474    3.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199   -0.4473   -0.2382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444   -1.6607    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0677   -2.3242    1.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7142   -2.2211   -0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4645   -2.5173   -2.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1765   -3.8557   -2.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9543   -4.5190   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0887   -3.4715    0.0357 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3994   -4.1071    0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7897   -3.5266   -0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070   -3.1034    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8901   -1.1078    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.0969    0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9223   -2.1767   -1.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4575   -3.0836   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087   -1.0395   -2.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7910   -0.0488   -1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769   -0.6962    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332    0.0755   -1.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5957   -2.9337   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8260   -2.2776   -2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -2.9410   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9469   -1.8334    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333   -0.2443   -1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149    0.4063   -1.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    1.8311    0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6659    1.5824   -1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9730    3.8738   -0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9981    3.2298   -1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854    2.8207   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2715    3.5562    1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8546    6.0558    1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693    5.2277    2.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293    7.4248   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    7.8704    0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.8271    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5495   -0.7183    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    2.0922    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926    1.7681    1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401    1.7913    0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6807    1.7124    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5324    1.2142    3.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3232    0.7776    5.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756    0.8531    3.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2885    0.1056   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6032   -1.5608   -0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9733   -1.7907   -2.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046   -2.6071   -2.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7564   -4.3889   -3.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2732   -3.6980   -2.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7693   -5.2788   -0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9567   -4.9923   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4588   -3.6993    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 29 24  1  0
 37 33  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  4 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  6 50  1  0
  7 51  1  0
  7 52  1  0
  8 53  1  0
 11 54  1  0
 12 55  1  0
 12 56  1  0
 13 57  1  0
 13 58  1  0
 14 59  1  0
 14 60  1  0
 17 61  1  0
 17 62  1  0
 18 63  1  0
 18 64  1  0
 19 65  1  0
 22 66  1  0
 23 67  1  0
 23 68  1  0
 25 69  1  0
 26 70  1  0
 27 71  1  0
 28 72  1  0
 29 73  1  0
 30 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 37 82  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
5-Carbamimidamido-N-heptyl-2-[(1-hydroxy-2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-3-phenylpropylidene)amino]pentanimidate	HMDB

Chemical Formula

C₂₇H₄₅N₇O₃

Average Molecular Weight

515.703

Monoisotopic Molecular Weight

515.358388337

IUPAC Name

5-[(diaminomethylidene)amino]-N-heptyl-2-{3-phenyl-2-[(pyrrolidin-2-yl)formamido]propanamido}pentanamide

Traditional Name

5-[(diaminomethylidene)amino]-N-heptyl-2-[3-phenyl-2-(pyrrolidin-2-ylformamido)propanamido]pentanamide

CAS Registry Number

Not Available

SMILES

CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1

InChI Identifier

InChI=1S/C27H45N7O3/c1-2-3-4-5-9-16-31-24(35)22(15-11-18-32-27(28)29)33-26(37)23(19-20-12-7-6-8-13-20)34-25(36)21-14-10-17-30-21/h6-8,12-13,21-23,30H,2-5,9-11,14-19H2,1H3,(H,31,35)(H,33,37)(H,34,36)(H4,28,29,32)

InChI Key

QQJQACOIANVAPI-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
Phenylalanine or derivatives
Proline or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Monocyclic benzene moiety
Fatty amide
N-acyl-amine
Fatty acyl
Benzenoid
Pyrrolidine
Secondary carboxylic acid amide
Amino acid or derivatives
Guanidine
Carboxamide group
Secondary amine
Organoheterocyclic compound
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Secondary aliphatic amine
Amine
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Hydrocarbon derivative
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	1.8	ALOGPS
logP	1.39	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	12.28	ChemAxon
pKa (Strongest Basic)	10.92	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	163.73 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	144.81 m³·mol⁻¹	ChemAxon
Polarizability	59.28 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	227.427	30932474
DeepCCS	[M-H]-	225.069	30932474
DeepCCS	[M-2H]-	258.017	30932474
DeepCCS	[M+Na]+	233.715	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4538.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4044.0	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	7142.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4391.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3965.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	7383.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4371.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3931.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	7353.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4387.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	3991.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	7317.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4434.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4030.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	7263.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4618.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	3971.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	6638.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4248.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3970.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7140.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4311.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3994.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	7105.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4340.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3994.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	7078.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4414.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3981.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	6982.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4506.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4092.0	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	6917.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4407.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3960.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	6942.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4431.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4017.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	6902.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4490.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4041.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	6883.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4230.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3928.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7212.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4250.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3971.0	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7166.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4324.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4018.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	7139.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4465.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3932.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	6339.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4345.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3993.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	6709.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4361.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4039.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	6671.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4436.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4066.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	6675.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4294.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3997.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6669.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4347.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4017.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	6670.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #15	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4391.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #15	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4012.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #15	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	6635.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4152.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3990.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6948.2	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4210.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4019.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6944.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4236.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4020.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6910.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4228.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4013.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6884.2	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #2	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4490.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #2	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	3996.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #2	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	6163.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4467.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3894.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	6297.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4488.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	3938.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	6253.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4553.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	3963.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	6256.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4340.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4030.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	6743.1	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4268.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3973.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6746.1	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4284.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4003.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6699.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4355.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4034.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	6705.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4370.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3955.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	5883.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4421.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3918.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	5962.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4461.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3901.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	5917.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #12	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4262.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #12	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4008.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #12	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6530.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #13	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4279.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #13	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4022.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #13	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6490.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #14	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4380.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #14	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4043.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #14	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	6509.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #15	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4209.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #15	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4006.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #15	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6482.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4265.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4024.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6498.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4295.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4014.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6457.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #18	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4292.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #18	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4001.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #18	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6465.2	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4377.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4015.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	6480.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4338.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3911.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6036.1	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #20	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4396.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #20	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3990.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #20	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	6446.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #21	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4295.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #21	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3995.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #21	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6432.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #22	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4185.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #22	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4034.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #22	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6722.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #3	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4358.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #3	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3931.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #3	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	5986.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #4	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4416.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #4	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3951.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #4	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	6004.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4430.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4063.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	5683.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4357.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	3910.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	5849.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #7	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4368.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #7	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	3943.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #7	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	5803.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #8	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4443.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #8	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	3968.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #8	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	5827.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #9	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4354.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #9	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3903.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,4TMS,isomer #9	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	5954.1	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4380.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4040.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	5420.1	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4448.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	4028.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C	5387.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4274.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3910.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	5511.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4375.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3922.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	5548.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4388.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3889.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	5500.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4359.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3898.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5646.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #15	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4233.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #15	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4011.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #15	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6297.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4331.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4017.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6324.1	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4347.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3996.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6287.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4242.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4013.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6267.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4356.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3970.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6263.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4283.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3930.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	5593.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #3	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4287.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #3	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3937.0	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #3	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	5544.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #4	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	4387.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #4	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	3955.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #4	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	5587.8	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #5	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4266.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #5	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3930.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #5	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5696.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4333.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3943.0	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5730.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4363.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3932.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5679.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #8	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4366.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #8	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	4002.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #8	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C	5386.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #9	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4348.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #9	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	4014.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,5TMS,isomer #9	CCCCCCCNC(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C	5341.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4752.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4198.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	7092.2	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4594.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4142.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	7341.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4596.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4103.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	7303.2	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4626.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4154.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	7270.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	4648.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	4197.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,1TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	7298.2	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	5009.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4278.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #1	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	6428.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4690.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4290.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7029.2	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4713.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4325.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7068.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4743.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4317.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7055.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4806.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4291.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #2	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6897.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4881.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4403.0	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	6841.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4817.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4264.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6856.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4862.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4313.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6821.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	4894.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	4355.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #6	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	6870.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4652.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4266.0	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7103.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4695.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4294.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7058.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4718.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4349.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,2TBDMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7109.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	5043.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4372.8	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #1	CCCCCCCN(C(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6153.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4946.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4453.5	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #10	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6626.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4966.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4476.6	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #11	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6598.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	5012.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	4510.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #12	CCCCCCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	6648.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4891.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4428.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #13	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6607.3	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4953.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4447.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #14	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6651.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #15	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4992.4	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #15	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4440.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #15	CCCCCCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6632.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4747.8	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4450.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #16	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6864.1	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4808.2	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4480.2	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #17	CCCCCCCN(C(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6906.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4853.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4468.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #18	CCCCCCCN(C(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6882.9	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4839.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4464.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #19	CCCCCCCNC(=O)C(CCCN=C(N)N)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6858.6	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #2	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	5060.1	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #2	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	4458.1	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #2	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1	6002.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	5054.0	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4341.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #3	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6115.5	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	5085.5	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4376.4	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #4	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6075.1	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	5137.6	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	4413.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #5	CCCCCCCNC(=O)C(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	6136.4	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4929.9	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	4483.0	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #6	CCCCCCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	6659.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4869.3	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4416.9	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #7	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6672.0	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4897.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4427.7	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #8	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6632.7	Standard polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4962.7	Semi standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4465.3	Standard non polar	33892256
(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide,3TBDMS,isomer #9	CCCCCCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6685.8	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide 10V, Positive-QTOF	splash10-014i-0001590000-e4ae911cb5a347bee3f6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide 20V, Positive-QTOF	splash10-05fr-3109210000-f5ca85fb364720a11c0e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide 40V, Positive-QTOF	splash10-0bt9-9704100000-cdfa806bee666f3c551d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide 10V, Negative-QTOF	splash10-03di-2000190000-c7254c393a579539def8	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide 20V, Negative-QTOF	splash10-01oy-9005830000-70ba17052f608ba4e800	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide 40V, Negative-QTOF	splash10-0006-9612000000-3859007848cfb6ade0bc	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71440521

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 (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide (HMDB0247398)

MOL for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

3D MOL for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

3D SDF for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

3D-SDF for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

PDB for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

3D PDB for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

SMILES for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

INCHI for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

Structure for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

3D Structure for HMDB0247398 ((2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-(heptylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra