Hmdb loader

Showing metabocard for Elamipretide (HMDB0251733)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 09:19:00 UTC
Update Date2021-09-26 23:03:55 UTC
HMDB IDHMDB0251733
Secondary Accession NumbersNone
Metabolite Identification
Common NameElamipretide
Description6-amino-2-({2-[(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]-1-hydroxy-3-(4-hydroxy-2,6-dimethylphenyl)propylidene}amino)-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]hexanimidic acid 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 6-amino-2-({2-[(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]-1-hydroxy-3-(4-hydroxy-2,6-dimethylphenyl)propylidene}amino)-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]hexanimidic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Elamipretide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Elamipretide 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
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0251733 (Elamipretide)


  Mrv1652309112111192D          

 46 47  0  0  0  0            999 V2000
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8019   -1.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 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  2  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 36 44  1  0  0  0  0
  6 45  1  0  0  0  0
  4 46  1  0  0  0  0
M  END
Download

3D MOL for HMDB0251733 (Elamipretide)

HMDB0251733
     RDKit          3D
Elamipretide
 95 96  0  0  0  0  0  0  0  0999 V2000
    4.7101   -2.4173    0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -3.0765    1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693   -3.7177    2.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4842   -4.3944    3.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0514   -5.0156    4.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322   -4.3999    2.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5744   -3.7792    1.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0984   -3.9029    1.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3613   -3.1103    0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791   -2.3775   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893   -0.9328   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6141   -0.1341    0.4245 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    1.0290   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    1.4246   -1.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    1.8272    0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398    1.1317    1.1406 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9303    2.5066   -0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581    1.4671   -1.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    2.2064   -2.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2138    3.0843   -3.5938 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    4.0697   -4.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8648    4.4473   -4.6599 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    4.8295   -4.9157 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2558   -0.5754    0.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297    0.2209    1.6652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -1.1284    0.2631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2223   -0.7180    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0730   -1.7194    1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -2.7847    0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -3.8361    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1580   -4.7513   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5596   -5.8101   -1.3103 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9434    0.2002   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4332    0.3575   -1.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288    0.8819    0.2491 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7156    1.7209   -0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4925    3.1861   -0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9926    3.7999    0.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2826    4.2448    0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7884    4.8644    1.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9422    5.0724    2.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6459    4.6463    2.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1470    4.0099    1.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1213    1.3838   -1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8123    2.1069   -2.0798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6956    0.4673   -0.4743 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5298   -3.1921    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458   -2.1909   -0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928   -1.6032    0.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341   -3.6711    2.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471   -5.9721    4.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -4.9340    3.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1628   -4.9324    2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436   -3.9028    0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013   -3.2163    2.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532   -2.8795   -0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -2.4478   -1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2800   -0.4804   -1.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933   -0.4681    1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824    2.6997    0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5916    0.6515    1.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8699    0.6814    0.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8106    3.0506   -0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3304    3.2221   -1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.8856   -1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508    0.8391   -2.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9432    2.8728   -2.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197    1.4881   -3.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2432    4.2026   -5.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4850    4.9668   -3.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4092    5.8566   -4.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7268    4.3709   -5.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433   -1.7979   -0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034    0.0110    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018   -1.1968    2.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196   -2.2325    2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3303   -3.3706    1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6777   -2.4069    0.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5206   -4.5640    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3996   -3.5570   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7989   -5.1027    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7325   -4.0984   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393   -6.1098   -2.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892   -5.5171   -1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5772    0.7831    1.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1704    1.5082   -1.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    3.3210   -0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9212    3.6921   -1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9464    4.0869   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8053    5.2154    1.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2946    5.5626    3.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9957    4.8303    3.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314    3.7071    1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6523    2.6549   -1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4588    2.0789   -3.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 21 23  1  0
 11 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 27 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 36 44  1  0
 44 45  1  0
 44 46  2  0
  9  2  1  0
 43 38  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  3 50  1  0
  5 51  1  0
  6 52  1  0
  8 53  1  0
  8 54  1  0
  8 55  1  0
 10 56  1  0
 10 57  1  0
 11 58  1  0
 12 59  1  0
 15 60  1  0
 16 61  1  0
 16 62  1  0
 17 63  1  0
 17 64  1  0
 18 65  1  0
 18 66  1  0
 19 67  1  0
 19 68  1  0
 22 69  1  0
 22 70  1  0
 23 71  1  0
 23 72  1  0
 26 73  1  0
 27 74  1  0
 28 75  1  0
 28 76  1  0
 29 77  1  0
 29 78  1  0
 30 79  1  0
 30 80  1  0
 31 81  1  0
 31 82  1  0
 32 83  1  0
 32 84  1  0
 35 85  1  0
 36 86  1  0
 37 87  1  0
 37 88  1  0
 39 89  1  0
 40 90  1  0
 41 91  1  0
 42 92  1  0
 43 93  1  0
 45 94  1  0
 45 95  1  0
M  END
Download

3D SDF for HMDB0251733 (Elamipretide)


  Mrv1652309112111192D          

 46 47  0  0  0  0            999 V2000
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8019   -1.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 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  2  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 36 44  1  0  0  0  0
  6 45  1  0  0  0  0
  4 46  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0251733

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)

> <INCHI_KEY>
SFVLTCAESLKEHH-UHFFFAOYSA-N

> <FORMULA>
C32H49N9O5

> <MOLECULAR_WEIGHT>
639.802

> <EXACT_MASS>
639.385665714

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
69.55328855260497

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-(2-{2-amino-5-[(diaminomethylidene)amino]pentanamido}-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-(1-carbamoyl-2-phenylethyl)hexanamide

> <ALOGPS_LOGP>
0.19

> <JCHEM_LOGP>
-0.6769130809401004

> <ALOGPS_LOGS>
-4.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
12.23364287300353

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.61023271179095

> <JCHEM_PKA_STRONGEST_BASIC>
11.285968700892308

> <JCHEM_POLAR_SURFACE_AREA>
267.06

> <JCHEM_REFRACTIVITY>
175.95820000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.04e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-(2-{2-amino-5-[(diaminomethylidene)amino]pentanamido}-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-(1-carbamoyl-2-phenylethyl)hexanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0251733 (Elamipretide)

HMDB0251733
     RDKit          3D
Elamipretide
 95 96  0  0  0  0  0  0  0  0999 V2000
    4.7101   -2.4173    0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -3.0765    1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693   -3.7177    2.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4842   -4.3944    3.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0514   -5.0156    4.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322   -4.3999    2.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5744   -3.7792    1.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0984   -3.9029    1.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3613   -3.1103    0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791   -2.3775   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893   -0.9328   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6141   -0.1341    0.4245 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    1.0290   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    1.4246   -1.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    1.8272    0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398    1.1317    1.1406 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9303    2.5066   -0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581    1.4671   -1.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    2.2064   -2.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2138    3.0843   -3.5938 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    4.0697   -4.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8648    4.4473   -4.6599 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    4.8295   -4.9157 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2558   -0.5754    0.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297    0.2209    1.6652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -1.1284    0.2631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2223   -0.7180    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0730   -1.7194    1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -2.7847    0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -3.8361    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1580   -4.7513   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5596   -5.8101   -1.3103 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9434    0.2002   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4332    0.3575   -1.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288    0.8819    0.2491 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7156    1.7209   -0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4925    3.1861   -0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9926    3.7999    0.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2826    4.2448    0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7884    4.8644    1.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9422    5.0724    2.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6459    4.6463    2.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1470    4.0099    1.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1213    1.3838   -1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8123    2.1069   -2.0798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6956    0.4673   -0.4743 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5298   -3.1921    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458   -2.1909   -0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928   -1.6032    0.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341   -3.6711    2.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471   -5.9721    4.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -4.9340    3.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1628   -4.9324    2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436   -3.9028    0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013   -3.2163    2.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532   -2.8795   -0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -2.4478   -1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2800   -0.4804   -1.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933   -0.4681    1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824    2.6997    0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5916    0.6515    1.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8699    0.6814    0.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8106    3.0506   -0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3304    3.2221   -1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.8856   -1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508    0.8391   -2.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9432    2.8728   -2.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197    1.4881   -3.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2432    4.2026   -5.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4850    4.9668   -3.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4092    5.8566   -4.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7268    4.3709   -5.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433   -1.7979   -0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034    0.0110    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018   -1.1968    2.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196   -2.2325    2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3303   -3.3706    1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6777   -2.4069    0.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5206   -4.5640    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3996   -3.5570   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7989   -5.1027    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7325   -4.0984   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393   -6.1098   -2.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892   -5.5171   -1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5772    0.7831    1.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1704    1.5082   -1.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    3.3210   -0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9212    3.6921   -1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9464    4.0869   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8053    5.2154    1.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2946    5.5626    3.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9957    4.8303    3.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314    3.7071    1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6523    2.6549   -1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4588    2.0789   -3.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 21 23  1  0
 11 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 27 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 36 44  1  0
 44 45  1  0
 44 46  2  0
  9  2  1  0
 43 38  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  3 50  1  0
  5 51  1  0
  6 52  1  0
  8 53  1  0
  8 54  1  0
  8 55  1  0
 10 56  1  0
 10 57  1  0
 11 58  1  0
 12 59  1  0
 15 60  1  0
 16 61  1  0
 16 62  1  0
 17 63  1  0
 17 64  1  0
 18 65  1  0
 18 66  1  0
 19 67  1  0
 19 68  1  0
 22 69  1  0
 22 70  1  0
 23 71  1  0
 23 72  1  0
 26 73  1  0
 27 74  1  0
 28 75  1  0
 28 76  1  0
 29 77  1  0
 29 78  1  0
 30 79  1  0
 30 80  1  0
 31 81  1  0
 31 82  1  0
 32 83  1  0
 32 84  1  0
 35 85  1  0
 36 86  1  0
 37 87  1  0
 37 88  1  0
 39 89  1  0
 40 90  1  0
 41 91  1  0
 42 92  1  0
 43 93  1  0
 45 94  1  0
 45 95  1  0
M  END
Download

PDB for HMDB0251733 (Elamipretide)

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      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       8.002  -3.080   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       4.001   3.850   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   32  N   UNK     0       1.334  -0.770   0.000  0.00  0.00           N+0
HETATM   33  N   UNK     0      12.003  -2.310   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      17.338  -2.310   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0      20.005  -2.310   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0      21.339  -3.080   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0      22.673  -2.310   0.000  0.00  0.00           N+0
HETATM   43  N   UNK     0      21.339  -4.620   0.000  0.00  0.00           N+0
HETATM   44  N   UNK     0      14.670  -0.770   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0       7.097  -3.374   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   46                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   45                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   33                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   13   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   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   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33    9   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   44                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   36                                                            
CONECT   45    6                                                            
CONECT   46    4                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   94    0
END
Download

3D PDB for HMDB0251733 (Elamipretide)

COMPND    HMDB0251733
HETATM    1  C1  UNL     1       4.710  -2.417   0.190  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.724  -3.077   1.113  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.269  -3.718   2.234  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.484  -4.394   3.136  1.00  0.00           C  
HETATM    5  O1  UNL     1       4.051  -5.016   4.233  1.00  0.00           O  
HETATM    6  C5  UNL     1       2.132  -4.400   2.865  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.574  -3.779   1.775  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.098  -3.903   1.636  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.361  -3.110   0.889  1.00  0.00           C  
HETATM   10  C9  UNL     1       1.779  -2.377  -0.253  1.00  0.00           C  
HETATM   11  C10 UNL     1       1.489  -0.933  -0.019  1.00  0.00           C  
HETATM   12  N1  UNL     1       2.614  -0.134   0.425  1.00  0.00           N  
HETATM   13  C11 UNL     1       3.036   1.029  -0.217  1.00  0.00           C  
HETATM   14  O2  UNL     1       2.418   1.425  -1.248  1.00  0.00           O  
HETATM   15  C12 UNL     1       4.178   1.827   0.259  1.00  0.00           C  
HETATM   16  N2  UNL     1       5.040   1.132   1.141  1.00  0.00           N  
HETATM   17  C13 UNL     1       4.930   2.507  -0.866  1.00  0.00           C  
HETATM   18  C14 UNL     1       5.458   1.467  -1.815  1.00  0.00           C  
HETATM   19  C15 UNL     1       6.177   2.206  -2.937  1.00  0.00           C  
HETATM   20  N3  UNL     1       5.214   3.084  -3.594  1.00  0.00           N  
HETATM   21  C16 UNL     1       5.540   4.070  -4.352  1.00  0.00           C  
HETATM   22  N4  UNL     1       6.865   4.447  -4.660  1.00  0.00           N  
HETATM   23  N5  UNL     1       4.477   4.829  -4.916  1.00  0.00           N  
HETATM   24  C17 UNL     1       0.256  -0.575   0.689  1.00  0.00           C  
HETATM   25  O3  UNL     1       0.230   0.221   1.665  1.00  0.00           O  
HETATM   26  N6  UNL     1      -1.018  -1.128   0.263  1.00  0.00           N  
HETATM   27  C18 UNL     1      -2.222  -0.718   0.924  1.00  0.00           C  
HETATM   28  C19 UNL     1      -3.073  -1.719   1.512  1.00  0.00           C  
HETATM   29  C20 UNL     1      -3.767  -2.785   0.803  1.00  0.00           C  
HETATM   30  C21 UNL     1      -3.050  -3.836   0.051  1.00  0.00           C  
HETATM   31  C22 UNL     1      -4.158  -4.751  -0.557  1.00  0.00           C  
HETATM   32  N7  UNL     1      -3.560  -5.810  -1.310  1.00  0.00           N  
HETATM   33  C23 UNL     1      -2.943   0.200  -0.032  1.00  0.00           C  
HETATM   34  O4  UNL     1      -2.433   0.358  -1.166  1.00  0.00           O  
HETATM   35  N8  UNL     1      -4.129   0.882   0.249  1.00  0.00           N  
HETATM   36  C24 UNL     1      -4.716   1.721  -0.779  1.00  0.00           C  
HETATM   37  C25 UNL     1      -4.493   3.186  -0.586  1.00  0.00           C  
HETATM   38  C26 UNL     1      -4.993   3.800   0.623  1.00  0.00           C  
HETATM   39  C27 UNL     1      -6.283   4.245   0.766  1.00  0.00           C  
HETATM   40  C28 UNL     1      -6.788   4.864   1.870  1.00  0.00           C  
HETATM   41  C29 UNL     1      -5.942   5.072   2.950  1.00  0.00           C  
HETATM   42  C30 UNL     1      -4.646   4.646   2.855  1.00  0.00           C  
HETATM   43  C31 UNL     1      -4.147   4.010   1.709  1.00  0.00           C  
HETATM   44  C32 UNL     1      -6.121   1.384  -1.086  1.00  0.00           C  
HETATM   45  N9  UNL     1      -6.812   2.107  -2.080  1.00  0.00           N  
HETATM   46  O5  UNL     1      -6.696   0.467  -0.474  1.00  0.00           O  
HETATM   47  H1  UNL     1       5.530  -3.192   0.039  1.00  0.00           H  
HETATM   48  H2  UNL     1       4.346  -2.191  -0.796  1.00  0.00           H  
HETATM   49  H3  UNL     1       5.193  -1.603   0.749  1.00  0.00           H  
HETATM   50  H4  UNL     1       5.334  -3.671   2.378  1.00  0.00           H  
HETATM   51  H5  UNL     1       4.347  -5.972   4.137  1.00  0.00           H  
HETATM   52  H6  UNL     1       1.500  -4.934   3.573  1.00  0.00           H  
HETATM   53  H7  UNL     1      -0.163  -4.932   2.032  1.00  0.00           H  
HETATM   54  H8  UNL     1      -0.244  -3.903   0.613  1.00  0.00           H  
HETATM   55  H9  UNL     1      -0.401  -3.216   2.341  1.00  0.00           H  
HETATM   56  H10 UNL     1       0.853  -2.880  -0.639  1.00  0.00           H  
HETATM   57  H11 UNL     1       2.471  -2.448  -1.132  1.00  0.00           H  
HETATM   58  H12 UNL     1       1.280  -0.480  -1.081  1.00  0.00           H  
HETATM   59  H13 UNL     1       3.093  -0.468   1.285  1.00  0.00           H  
HETATM   60  H14 UNL     1       3.682   2.700   0.834  1.00  0.00           H  
HETATM   61  H15 UNL     1       4.592   0.652   1.917  1.00  0.00           H  
HETATM   62  H16 UNL     1       5.870   0.681   0.748  1.00  0.00           H  
HETATM   63  H17 UNL     1       5.811   3.051  -0.444  1.00  0.00           H  
HETATM   64  H18 UNL     1       4.330   3.222  -1.430  1.00  0.00           H  
HETATM   65  H19 UNL     1       6.257   0.886  -1.294  1.00  0.00           H  
HETATM   66  H20 UNL     1       4.651   0.839  -2.173  1.00  0.00           H  
HETATM   67  H21 UNL     1       6.943   2.873  -2.510  1.00  0.00           H  
HETATM   68  H22 UNL     1       6.620   1.488  -3.640  1.00  0.00           H  
HETATM   69  H23 UNL     1       7.243   4.203  -5.607  1.00  0.00           H  
HETATM   70  H24 UNL     1       7.485   4.967  -3.973  1.00  0.00           H  
HETATM   71  H25 UNL     1       4.409   5.857  -4.780  1.00  0.00           H  
HETATM   72  H26 UNL     1       3.727   4.371  -5.489  1.00  0.00           H  
HETATM   73  H27 UNL     1      -1.043  -1.798  -0.521  1.00  0.00           H  
HETATM   74  H28 UNL     1      -1.903   0.011   1.747  1.00  0.00           H  
HETATM   75  H29 UNL     1      -3.902  -1.197   2.140  1.00  0.00           H  
HETATM   76  H30 UNL     1      -2.520  -2.232   2.386  1.00  0.00           H  
HETATM   77  H31 UNL     1      -4.330  -3.371   1.628  1.00  0.00           H  
HETATM   78  H32 UNL     1      -4.678  -2.407   0.216  1.00  0.00           H  
HETATM   79  H33 UNL     1      -2.521  -4.564   0.742  1.00  0.00           H  
HETATM   80  H34 UNL     1      -2.400  -3.557  -0.761  1.00  0.00           H  
HETATM   81  H35 UNL     1      -4.799  -5.103   0.252  1.00  0.00           H  
HETATM   82  H36 UNL     1      -4.733  -4.098  -1.237  1.00  0.00           H  
HETATM   83  H37 UNL     1      -4.139  -6.110  -2.130  1.00  0.00           H  
HETATM   84  H38 UNL     1      -2.589  -5.517  -1.598  1.00  0.00           H  
HETATM   85  H39 UNL     1      -4.577   0.783   1.178  1.00  0.00           H  
HETATM   86  H40 UNL     1      -4.170   1.508  -1.771  1.00  0.00           H  
HETATM   87  H41 UNL     1      -3.367   3.321  -0.600  1.00  0.00           H  
HETATM   88  H42 UNL     1      -4.921   3.692  -1.484  1.00  0.00           H  
HETATM   89  H43 UNL     1      -6.946   4.087  -0.073  1.00  0.00           H  
HETATM   90  H44 UNL     1      -7.805   5.215   1.986  1.00  0.00           H  
HETATM   91  H45 UNL     1      -6.295   5.563   3.853  1.00  0.00           H  
HETATM   92  H46 UNL     1      -3.996   4.830   3.724  1.00  0.00           H  
HETATM   93  H47 UNL     1      -3.131   3.707   1.705  1.00  0.00           H  
HETATM   94  H48 UNL     1      -7.652   2.655  -1.856  1.00  0.00           H  
HETATM   95  H49 UNL     1      -6.459   2.079  -3.053  1.00  0.00           H  
CONECT    1    2   47   48   49
CONECT    2    3    3    9
CONECT    3    4   50
CONECT    4    5    6    6
CONECT    5   51
CONECT    6    7   52
CONECT    7    8    9    9
CONECT    8   53   54   55
CONECT    9   10
CONECT   10   11   56   57
CONECT   11   12   24   58
CONECT   12   13   59
CONECT   13   14   14   15
CONECT   15   16   17   60
CONECT   16   61   62
CONECT   17   18   63   64
CONECT   18   19   65   66
CONECT   19   20   67   68
CONECT   20   21   21
CONECT   21   22   23
CONECT   22   69   70
CONECT   23   71   72
CONECT   24   25   25   26
CONECT   26   27   73
CONECT   27   28   33   74
CONECT   28   29   75   76
CONECT   29   30   77   78
CONECT   30   31   79   80
CONECT   31   32   81   82
CONECT   32   83   84
CONECT   33   34   34   35
CONECT   35   36   85
CONECT   36   37   44   86
CONECT   37   38   87   88
CONECT   38   39   39   43
CONECT   39   40   89
CONECT   40   41   41   90
CONECT   41   42   91
CONECT   42   43   43   92
CONECT   43   93
CONECT   44   45   46   46
CONECT   45   94   95
END
Download

SMILES for HMDB0251733 (Elamipretide)

CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O
Download

INCHI for HMDB0251733 (Elamipretide)

InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
6-Amino-2-({2-[(2-amino-5-carbamimidamido-1-hydroxypentylidene)amino]-1-hydroxy-3-(4-hydroxy-2,6-dimethylphenyl)propylidene}amino)-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]hexanimidateGenerator
Chemical FormulaC32H49N9O5
Average Molecular Weight639.802
Monoisotopic Molecular Weight639.385665714
IUPAC Name6-amino-2-(2-{2-amino-5-[(diaminomethylidene)amino]pentanamido}-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-(1-carbamoyl-2-phenylethyl)hexanamide
Traditional Name6-amino-2-(2-{2-amino-5-[(diaminomethylidene)amino]pentanamido}-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-(1-carbamoyl-2-phenylethyl)hexanamide
CAS Registry NumberNot Available
SMILES
CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O
InChI Identifier
InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)
InChI KeySFVLTCAESLKEHH-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Tyrosine or derivatives
  • Phenylalanine 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
  • M-cresol
  • M-xylene
  • Xylene
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Fatty amide
  • Benzenoid
  • Fatty acyl
  • N-acyl-amine
  • Amino acid or derivatives
  • Carboxamide group
  • Guanidine
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Carboximidamide
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Primary aliphatic amine
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.19ALOGPS
logP-0.68ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)9.61ChemAxon
pKa (Strongest Basic)11.29ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area267.06 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity175.96 m³·mol⁻¹ChemAxon
Polarizability69.55 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+234.33630932474
DeepCCS[M-H]-231.9430932474
DeepCCS[M-2H]-264.82430932474
DeepCCS[M+Na]+240.24830932474
AllCCS[M+H]+249.832859911
AllCCS[M+H-H2O]+249.132859911
AllCCS[M+NH4]+250.332859911
AllCCS[M+Na]+250.532859911
AllCCS[M-H]-234.532859911
AllCCS[M+Na-2H]-238.132859911
AllCCS[M+HCOO]-242.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ElamipretideCC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5607.5Standard polar33892256
ElamipretideCC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O3854.7Standard non polar33892256
ElamipretideCC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O6006.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Elamipretide,2TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5508.4Semi standard non polar33892256
Elamipretide,2TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4663.8Standard non polar33892256
Elamipretide,2TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10353.5Standard polar33892256
Elamipretide,2TMS,isomer #10CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5554.2Semi standard non polar33892256
Elamipretide,2TMS,isomer #10CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4812.0Standard non polar33892256
Elamipretide,2TMS,isomer #10CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C10005.2Standard polar33892256
Elamipretide,2TMS,isomer #11CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C5468.0Semi standard non polar33892256
Elamipretide,2TMS,isomer #11CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C4751.8Standard non polar33892256
Elamipretide,2TMS,isomer #11CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C10407.2Standard polar33892256
Elamipretide,2TMS,isomer #12CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5569.1Semi standard non polar33892256
Elamipretide,2TMS,isomer #12CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4851.4Standard non polar33892256
Elamipretide,2TMS,isomer #12CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10469.3Standard polar33892256
Elamipretide,2TMS,isomer #13CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5436.0Semi standard non polar33892256
Elamipretide,2TMS,isomer #13CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4720.2Standard non polar33892256
Elamipretide,2TMS,isomer #13CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10412.9Standard polar33892256
Elamipretide,2TMS,isomer #14CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5445.7Semi standard non polar33892256
Elamipretide,2TMS,isomer #14CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4730.2Standard non polar33892256
Elamipretide,2TMS,isomer #14CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10368.6Standard polar33892256
Elamipretide,2TMS,isomer #15CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5757.7Semi standard non polar33892256
Elamipretide,2TMS,isomer #15CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4617.4Standard non polar33892256
Elamipretide,2TMS,isomer #15CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10276.4Standard polar33892256
Elamipretide,2TMS,isomer #16CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5734.2Semi standard non polar33892256
Elamipretide,2TMS,isomer #16CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4820.8Standard non polar33892256
Elamipretide,2TMS,isomer #16CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O10280.7Standard polar33892256
Elamipretide,2TMS,isomer #17CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5623.5Semi standard non polar33892256
Elamipretide,2TMS,isomer #17CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4795.5Standard non polar33892256
Elamipretide,2TMS,isomer #17CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C10192.4Standard polar33892256
Elamipretide,2TMS,isomer #18CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C5531.0Semi standard non polar33892256
Elamipretide,2TMS,isomer #18CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C4717.2Standard non polar33892256
Elamipretide,2TMS,isomer #18CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C10511.2Standard polar33892256
Elamipretide,2TMS,isomer #19CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5607.1Semi standard non polar33892256
Elamipretide,2TMS,isomer #19CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4779.9Standard non polar33892256
Elamipretide,2TMS,isomer #19CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10588.8Standard polar33892256
Elamipretide,2TMS,isomer #2CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5580.1Semi standard non polar33892256
Elamipretide,2TMS,isomer #2CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4622.4Standard non polar33892256
Elamipretide,2TMS,isomer #2CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10528.9Standard polar33892256
Elamipretide,2TMS,isomer #20CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5535.7Semi standard non polar33892256
Elamipretide,2TMS,isomer #20CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4688.0Standard non polar33892256
Elamipretide,2TMS,isomer #20CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10584.5Standard polar33892256
Elamipretide,2TMS,isomer #21CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5548.1Semi standard non polar33892256
Elamipretide,2TMS,isomer #21CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4699.8Standard non polar33892256
Elamipretide,2TMS,isomer #21CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10537.1Standard polar33892256
Elamipretide,2TMS,isomer #22CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5620.5Semi standard non polar33892256
Elamipretide,2TMS,isomer #22CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4857.5Standard non polar33892256
Elamipretide,2TMS,isomer #22CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C10094.7Standard polar33892256
Elamipretide,2TMS,isomer #23CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5526.0Semi standard non polar33892256
Elamipretide,2TMS,isomer #23CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4790.6Standard non polar33892256
Elamipretide,2TMS,isomer #23CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10405.2Standard polar33892256
Elamipretide,2TMS,isomer #24CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5533.0Semi standard non polar33892256
Elamipretide,2TMS,isomer #24CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4759.5Standard non polar33892256
Elamipretide,2TMS,isomer #24CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10481.5Standard polar33892256
Elamipretide,2TMS,isomer #25CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5696.0Semi standard non polar33892256
Elamipretide,2TMS,isomer #25CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4919.1Standard non polar33892256
Elamipretide,2TMS,isomer #25CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O10562.1Standard polar33892256
Elamipretide,2TMS,isomer #26CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5533.6Semi standard non polar33892256
Elamipretide,2TMS,isomer #26CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4773.7Standard non polar33892256
Elamipretide,2TMS,isomer #26CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10432.5Standard polar33892256
Elamipretide,2TMS,isomer #27CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5393.0Semi standard non polar33892256
Elamipretide,2TMS,isomer #27CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4772.9Standard non polar33892256
Elamipretide,2TMS,isomer #27CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10332.2Standard polar33892256
Elamipretide,2TMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5389.7Semi standard non polar33892256
Elamipretide,2TMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4746.7Standard non polar33892256
Elamipretide,2TMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C10406.3Standard polar33892256
Elamipretide,2TMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5396.6Semi standard non polar33892256
Elamipretide,2TMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4769.8Standard non polar33892256
Elamipretide,2TMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C10402.5Standard polar33892256
Elamipretide,2TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5579.7Semi standard non polar33892256
Elamipretide,2TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4715.7Standard non polar33892256
Elamipretide,2TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O10417.2Standard polar33892256
Elamipretide,2TMS,isomer #30CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C5533.9Semi standard non polar33892256
Elamipretide,2TMS,isomer #30CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C4865.6Standard non polar33892256
Elamipretide,2TMS,isomer #30CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C10439.3Standard polar33892256
Elamipretide,2TMS,isomer #31CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5304.7Semi standard non polar33892256
Elamipretide,2TMS,isomer #31CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4704.9Standard non polar33892256
Elamipretide,2TMS,isomer #31CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10698.0Standard polar33892256
Elamipretide,2TMS,isomer #32CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5322.3Semi standard non polar33892256
Elamipretide,2TMS,isomer #32CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4698.8Standard non polar33892256
Elamipretide,2TMS,isomer #32CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10652.4Standard polar33892256
Elamipretide,2TMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5323.0Semi standard non polar33892256
Elamipretide,2TMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4682.0Standard non polar33892256
Elamipretide,2TMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C10722.2Standard polar33892256
Elamipretide,2TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5459.4Semi standard non polar33892256
Elamipretide,2TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4692.1Standard non polar33892256
Elamipretide,2TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C10344.5Standard polar33892256
Elamipretide,2TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5375.4Semi standard non polar33892256
Elamipretide,2TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4620.9Standard non polar33892256
Elamipretide,2TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10641.1Standard polar33892256
Elamipretide,2TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5378.1Semi standard non polar33892256
Elamipretide,2TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4597.0Standard non polar33892256
Elamipretide,2TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10706.9Standard polar33892256
Elamipretide,2TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5388.3Semi standard non polar33892256
Elamipretide,2TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4601.7Standard non polar33892256
Elamipretide,2TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10665.6Standard polar33892256
Elamipretide,2TMS,isomer #8CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5668.4Semi standard non polar33892256
Elamipretide,2TMS,isomer #8CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4769.5Standard non polar33892256
Elamipretide,2TMS,isomer #8CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10197.6Standard polar33892256
Elamipretide,2TMS,isomer #9CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5673.7Semi standard non polar33892256
Elamipretide,2TMS,isomer #9CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4839.1Standard non polar33892256
Elamipretide,2TMS,isomer #9CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O10101.1Standard polar33892256
Elamipretide,3TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5572.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4584.7Standard non polar33892256
Elamipretide,3TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O9814.7Standard polar33892256
Elamipretide,3TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5537.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4615.4Standard non polar33892256
Elamipretide,3TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9796.8Standard polar33892256
Elamipretide,3TMS,isomer #11CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C5451.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #11CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C4558.4Standard non polar33892256
Elamipretide,3TMS,isomer #11CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C10142.4Standard polar33892256
Elamipretide,3TMS,isomer #12CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5537.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #12CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4548.7Standard non polar33892256
Elamipretide,3TMS,isomer #12CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10220.8Standard polar33892256
Elamipretide,3TMS,isomer #13CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5458.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #13CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4534.0Standard non polar33892256
Elamipretide,3TMS,isomer #13CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10214.0Standard polar33892256
Elamipretide,3TMS,isomer #14CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5470.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #14CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4542.6Standard non polar33892256
Elamipretide,3TMS,isomer #14CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10165.4Standard polar33892256
Elamipretide,3TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5530.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4714.8Standard non polar33892256
Elamipretide,3TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9683.3Standard polar33892256
Elamipretide,3TMS,isomer #16CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5435.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #16CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4646.4Standard non polar33892256
Elamipretide,3TMS,isomer #16CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10034.0Standard polar33892256
Elamipretide,3TMS,isomer #17CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5452.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #17CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4624.9Standard non polar33892256
Elamipretide,3TMS,isomer #17CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10110.7Standard polar33892256
Elamipretide,3TMS,isomer #18CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5630.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #18CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4763.1Standard non polar33892256
Elamipretide,3TMS,isomer #18CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O10188.4Standard polar33892256
Elamipretide,3TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5453.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4631.9Standard non polar33892256
Elamipretide,3TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10058.0Standard polar33892256
Elamipretide,3TMS,isomer #2CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5577.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #2CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4679.2Standard non polar33892256
Elamipretide,3TMS,isomer #2CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9702.5Standard polar33892256
Elamipretide,3TMS,isomer #20CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5327.6Semi standard non polar33892256
Elamipretide,3TMS,isomer #20CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4646.9Standard non polar33892256
Elamipretide,3TMS,isomer #20CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C9947.0Standard polar33892256
Elamipretide,3TMS,isomer #21CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5324.3Semi standard non polar33892256
Elamipretide,3TMS,isomer #21CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4623.5Standard non polar33892256
Elamipretide,3TMS,isomer #21CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C10019.9Standard polar33892256
Elamipretide,3TMS,isomer #22CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5331.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #22CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4636.6Standard non polar33892256
Elamipretide,3TMS,isomer #22CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C10013.9Standard polar33892256
Elamipretide,3TMS,isomer #23CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C5476.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #23CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C4728.3Standard non polar33892256
Elamipretide,3TMS,isomer #23CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C10052.0Standard polar33892256
Elamipretide,3TMS,isomer #24CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5263.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #24CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4586.3Standard non polar33892256
Elamipretide,3TMS,isomer #24CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10349.0Standard polar33892256
Elamipretide,3TMS,isomer #25CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5257.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #25CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4586.1Standard non polar33892256
Elamipretide,3TMS,isomer #25CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10301.2Standard polar33892256
Elamipretide,3TMS,isomer #26CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5285.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #26CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4565.4Standard non polar33892256
Elamipretide,3TMS,isomer #26CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C10371.0Standard polar33892256
Elamipretide,3TMS,isomer #27CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5757.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #27CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4568.2Standard non polar33892256
Elamipretide,3TMS,isomer #27CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O9451.8Standard polar33892256
Elamipretide,3TMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5727.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4763.3Standard non polar33892256
Elamipretide,3TMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9522.9Standard polar33892256
Elamipretide,3TMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5617.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4761.1Standard non polar33892256
Elamipretide,3TMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9398.5Standard polar33892256
Elamipretide,3TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5461.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4675.1Standard non polar33892256
Elamipretide,3TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9596.2Standard polar33892256
Elamipretide,3TMS,isomer #30CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C5545.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #30CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C4692.6Standard non polar33892256
Elamipretide,3TMS,isomer #30CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C9859.5Standard polar33892256
Elamipretide,3TMS,isomer #31CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5568.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #31CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4706.7Standard non polar33892256
Elamipretide,3TMS,isomer #31CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O9873.8Standard polar33892256
Elamipretide,3TMS,isomer #32CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5637.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #32CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4780.5Standard non polar33892256
Elamipretide,3TMS,isomer #32CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O9924.2Standard polar33892256
Elamipretide,3TMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5510.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4661.6Standard non polar33892256
Elamipretide,3TMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9867.2Standard polar33892256
Elamipretide,3TMS,isomer #34CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5521.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #34CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4674.4Standard non polar33892256
Elamipretide,3TMS,isomer #34CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9813.4Standard polar33892256
Elamipretide,3TMS,isomer #35CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5621.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #35CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4824.0Standard non polar33892256
Elamipretide,3TMS,isomer #35CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9289.0Standard polar33892256
Elamipretide,3TMS,isomer #36CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C5537.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #36CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C4770.9Standard non polar33892256
Elamipretide,3TMS,isomer #36CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C9762.8Standard polar33892256
Elamipretide,3TMS,isomer #37CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5641.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #37CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4861.1Standard non polar33892256
Elamipretide,3TMS,isomer #37CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9829.7Standard polar33892256
Elamipretide,3TMS,isomer #38CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5513.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #38CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4736.2Standard non polar33892256
Elamipretide,3TMS,isomer #38CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9772.9Standard polar33892256
Elamipretide,3TMS,isomer #39CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5672.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #39CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4874.9Standard non polar33892256
Elamipretide,3TMS,isomer #39CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9864.2Standard polar33892256
Elamipretide,3TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C5401.3Semi standard non polar33892256
Elamipretide,3TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C4612.0Standard non polar33892256
Elamipretide,3TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C10031.3Standard polar33892256
Elamipretide,3TMS,isomer #40CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5514.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #40CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4747.7Standard non polar33892256
Elamipretide,3TMS,isomer #40CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9714.9Standard polar33892256
Elamipretide,3TMS,isomer #41CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C5417.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #41CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C4770.4Standard non polar33892256
Elamipretide,3TMS,isomer #41CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C9652.1Standard polar33892256
Elamipretide,3TMS,isomer #42CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5509.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #42CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4859.0Standard non polar33892256
Elamipretide,3TMS,isomer #42CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9722.4Standard polar33892256
Elamipretide,3TMS,isomer #43CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5388.3Semi standard non polar33892256
Elamipretide,3TMS,isomer #43CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4742.3Standard non polar33892256
Elamipretide,3TMS,isomer #43CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C9656.3Standard polar33892256
Elamipretide,3TMS,isomer #44CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5387.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #44CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4756.1Standard non polar33892256
Elamipretide,3TMS,isomer #44CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C9655.2Standard polar33892256
Elamipretide,3TMS,isomer #45CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C5529.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #45CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C4837.7Standard non polar33892256
Elamipretide,3TMS,isomer #45CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C9696.7Standard polar33892256
Elamipretide,3TMS,isomer #46CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C5322.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #46CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C4705.8Standard non polar33892256
Elamipretide,3TMS,isomer #46CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C10086.0Standard polar33892256
Elamipretide,3TMS,isomer #47CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C5327.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #47CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C4703.6Standard non polar33892256
Elamipretide,3TMS,isomer #47CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C10038.5Standard polar33892256
Elamipretide,3TMS,isomer #48CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5474.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #48CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4806.0Standard non polar33892256
Elamipretide,3TMS,isomer #48CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C10143.5Standard polar33892256
Elamipretide,3TMS,isomer #49CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5442.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #49CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4785.4Standard non polar33892256
Elamipretide,3TMS,isomer #49CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10147.7Standard polar33892256
Elamipretide,3TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5510.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4695.4Standard non polar33892256
Elamipretide,3TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10096.4Standard polar33892256
Elamipretide,3TMS,isomer #50CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5460.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #50CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4782.7Standard non polar33892256
Elamipretide,3TMS,isomer #50CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10103.5Standard polar33892256
Elamipretide,3TMS,isomer #51CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5306.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #51CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4679.3Standard non polar33892256
Elamipretide,3TMS,isomer #51CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C10049.2Standard polar33892256
Elamipretide,3TMS,isomer #52CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5820.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #52CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4602.0Standard non polar33892256
Elamipretide,3TMS,isomer #52CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9564.7Standard polar33892256
Elamipretide,3TMS,isomer #53CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5715.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #53CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4602.3Standard non polar33892256
Elamipretide,3TMS,isomer #53CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9436.9Standard polar33892256
Elamipretide,3TMS,isomer #54CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C5616.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #54CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C4537.8Standard non polar33892256
Elamipretide,3TMS,isomer #54CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C9810.4Standard polar33892256
Elamipretide,3TMS,isomer #55CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5625.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #55CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4567.3Standard non polar33892256
Elamipretide,3TMS,isomer #55CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O9830.7Standard polar33892256
Elamipretide,3TMS,isomer #56CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5625.2Semi standard non polar33892256
Elamipretide,3TMS,isomer #56CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4499.8Standard non polar33892256
Elamipretide,3TMS,isomer #56CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9895.3Standard polar33892256
Elamipretide,3TMS,isomer #57CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5631.3Semi standard non polar33892256
Elamipretide,3TMS,isomer #57CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4519.8Standard non polar33892256
Elamipretide,3TMS,isomer #57CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9834.5Standard polar33892256
Elamipretide,3TMS,isomer #58CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5682.6Semi standard non polar33892256
Elamipretide,3TMS,isomer #58CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4793.2Standard non polar33892256
Elamipretide,3TMS,isomer #58CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9507.9Standard polar33892256
Elamipretide,3TMS,isomer #59CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C5590.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #59CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C4729.0Standard non polar33892256
Elamipretide,3TMS,isomer #59CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C9872.1Standard polar33892256
Elamipretide,3TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5368.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4591.7Standard non polar33892256
Elamipretide,3TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10037.8Standard polar33892256
Elamipretide,3TMS,isomer #60CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5663.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #60CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4753.7Standard non polar33892256
Elamipretide,3TMS,isomer #60CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9950.8Standard polar33892256
Elamipretide,3TMS,isomer #61CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5605.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #61CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4691.2Standard non polar33892256
Elamipretide,3TMS,isomer #61CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9955.8Standard polar33892256
Elamipretide,3TMS,isomer #62CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5771.2Semi standard non polar33892256
Elamipretide,3TMS,isomer #62CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4837.8Standard non polar33892256
Elamipretide,3TMS,isomer #62CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O10036.7Standard polar33892256
Elamipretide,3TMS,isomer #63CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5605.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #63CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4706.0Standard non polar33892256
Elamipretide,3TMS,isomer #63CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9895.2Standard polar33892256
Elamipretide,3TMS,isomer #64CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C5472.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #64CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C4730.2Standard non polar33892256
Elamipretide,3TMS,isomer #64CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C9769.8Standard polar33892256
Elamipretide,3TMS,isomer #65CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5528.6Semi standard non polar33892256
Elamipretide,3TMS,isomer #65CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4742.5Standard non polar33892256
Elamipretide,3TMS,isomer #65CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9852.8Standard polar33892256
Elamipretide,3TMS,isomer #66CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5479.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #66CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4695.1Standard non polar33892256
Elamipretide,3TMS,isomer #66CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C9849.6Standard polar33892256
Elamipretide,3TMS,isomer #67CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5484.2Semi standard non polar33892256
Elamipretide,3TMS,isomer #67CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4710.3Standard non polar33892256
Elamipretide,3TMS,isomer #67CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C9842.1Standard polar33892256
Elamipretide,3TMS,isomer #68CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C5630.2Semi standard non polar33892256
Elamipretide,3TMS,isomer #68CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C4806.3Standard non polar33892256
Elamipretide,3TMS,isomer #68CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C9879.7Standard polar33892256
Elamipretide,3TMS,isomer #69CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C5388.3Semi standard non polar33892256
Elamipretide,3TMS,isomer #69CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C4659.3Standard non polar33892256
Elamipretide,3TMS,isomer #69CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C10192.0Standard polar33892256
Elamipretide,3TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5377.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4598.3Standard non polar33892256
Elamipretide,3TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C9992.1Standard polar33892256
Elamipretide,3TMS,isomer #70CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C5391.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #70CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C4662.9Standard non polar33892256
Elamipretide,3TMS,isomer #70CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C10139.5Standard polar33892256
Elamipretide,3TMS,isomer #71CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5460.5Semi standard non polar33892256
Elamipretide,3TMS,isomer #71CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4683.0Standard non polar33892256
Elamipretide,3TMS,isomer #71CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C10198.3Standard polar33892256
Elamipretide,3TMS,isomer #72CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5473.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #72CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4653.7Standard non polar33892256
Elamipretide,3TMS,isomer #72CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10269.9Standard polar33892256
Elamipretide,3TMS,isomer #73CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5480.4Semi standard non polar33892256
Elamipretide,3TMS,isomer #73CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4661.0Standard non polar33892256
Elamipretide,3TMS,isomer #73CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10221.9Standard polar33892256
Elamipretide,3TMS,isomer #74CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5414.6Semi standard non polar33892256
Elamipretide,3TMS,isomer #74CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4634.4Standard non polar33892256
Elamipretide,3TMS,isomer #74CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C10215.1Standard polar33892256
Elamipretide,3TMS,isomer #75CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5469.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #75CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4803.3Standard non polar33892256
Elamipretide,3TMS,isomer #75CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C9668.7Standard polar33892256
Elamipretide,3TMS,isomer #76CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5477.2Semi standard non polar33892256
Elamipretide,3TMS,isomer #76CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4770.6Standard non polar33892256
Elamipretide,3TMS,isomer #76CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C9754.2Standard polar33892256
Elamipretide,3TMS,isomer #77CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C5636.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #77CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C4906.3Standard non polar33892256
Elamipretide,3TMS,isomer #77CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C9842.5Standard polar33892256
Elamipretide,3TMS,isomer #78CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C5471.6Semi standard non polar33892256
Elamipretide,3TMS,isomer #78CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C4792.5Standard non polar33892256
Elamipretide,3TMS,isomer #78CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C9744.3Standard polar33892256
Elamipretide,3TMS,isomer #79CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C5621.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #79CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C4877.2Standard non polar33892256
Elamipretide,3TMS,isomer #79CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C9783.6Standard polar33892256
Elamipretide,3TMS,isomer #8CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5666.6Semi standard non polar33892256
Elamipretide,3TMS,isomer #8CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4410.5Standard non polar33892256
Elamipretide,3TMS,isomer #8CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O9842.3Standard polar33892256
Elamipretide,3TMS,isomer #80CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5384.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #80CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4736.0Standard non polar33892256
Elamipretide,3TMS,isomer #80CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10101.6Standard polar33892256
Elamipretide,3TMS,isomer #81CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5573.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #81CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4852.1Standard non polar33892256
Elamipretide,3TMS,isomer #81CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10175.9Standard polar33892256
Elamipretide,3TMS,isomer #82CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5383.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #82CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4734.8Standard non polar33892256
Elamipretide,3TMS,isomer #82CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10045.1Standard polar33892256
Elamipretide,3TMS,isomer #83CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5573.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #83CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4832.0Standard non polar33892256
Elamipretide,3TMS,isomer #83CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10250.8Standard polar33892256
Elamipretide,3TMS,isomer #84CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5408.3Semi standard non polar33892256
Elamipretide,3TMS,isomer #84CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4710.4Standard non polar33892256
Elamipretide,3TMS,isomer #84CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C10125.7Standard polar33892256
Elamipretide,3TMS,isomer #85CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C5596.1Semi standard non polar33892256
Elamipretide,3TMS,isomer #85CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C4834.4Standard non polar33892256
Elamipretide,3TMS,isomer #85CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C10199.8Standard polar33892256
Elamipretide,3TMS,isomer #86CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5244.0Semi standard non polar33892256
Elamipretide,3TMS,isomer #86CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4735.1Standard non polar33892256
Elamipretide,3TMS,isomer #86CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10006.1Standard polar33892256
Elamipretide,3TMS,isomer #87CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5251.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #87CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4744.6Standard non polar33892256
Elamipretide,3TMS,isomer #87CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C9996.0Standard polar33892256
Elamipretide,3TMS,isomer #88CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5411.6Semi standard non polar33892256
Elamipretide,3TMS,isomer #88CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4822.3Standard non polar33892256
Elamipretide,3TMS,isomer #88CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10035.2Standard polar33892256
Elamipretide,3TMS,isomer #89CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5269.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #89CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4716.6Standard non polar33892256
Elamipretide,3TMS,isomer #89CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C10070.2Standard polar33892256
Elamipretide,3TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5648.9Semi standard non polar33892256
Elamipretide,3TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O4619.7Standard non polar33892256
Elamipretide,3TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9894.2Standard polar33892256
Elamipretide,3TMS,isomer #90CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5393.8Semi standard non polar33892256
Elamipretide,3TMS,isomer #90CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4805.7Standard non polar33892256
Elamipretide,3TMS,isomer #90CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C10106.7Standard polar33892256
Elamipretide,3TMS,isomer #91CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5413.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #91CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4813.5Standard non polar33892256
Elamipretide,3TMS,isomer #91CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C10102.2Standard polar33892256
Elamipretide,3TMS,isomer #92CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C5214.7Semi standard non polar33892256
Elamipretide,3TMS,isomer #92CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C4683.6Standard non polar33892256
Elamipretide,3TMS,isomer #92CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C10360.3Standard polar33892256
Elamipretide,2TBDMS,isomer #1CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5959.4Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #1CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4964.8Standard non polar33892256
Elamipretide,2TBDMS,isomer #1CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10069.4Standard polar33892256
Elamipretide,2TBDMS,isomer #10CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C5963.6Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #10CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C5107.5Standard non polar33892256
Elamipretide,2TBDMS,isomer #10CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C9690.2Standard polar33892256
Elamipretide,2TBDMS,isomer #11CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5924.3Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #11CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5048.1Standard non polar33892256
Elamipretide,2TBDMS,isomer #11CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C10104.1Standard polar33892256
Elamipretide,2TBDMS,isomer #12CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O6001.6Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #12CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5102.6Standard non polar33892256
Elamipretide,2TBDMS,isomer #12CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10172.3Standard polar33892256
Elamipretide,2TBDMS,isomer #13CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5910.8Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #13CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5020.4Standard non polar33892256
Elamipretide,2TBDMS,isomer #13CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C10107.4Standard polar33892256
Elamipretide,2TBDMS,isomer #14CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5902.2Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #14CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5031.0Standard non polar33892256
Elamipretide,2TBDMS,isomer #14CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C10073.6Standard polar33892256
Elamipretide,2TBDMS,isomer #15CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O6172.2Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #15CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4877.9Standard non polar33892256
Elamipretide,2TBDMS,isomer #15CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O9841.4Standard polar33892256
Elamipretide,2TBDMS,isomer #16CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O6142.0Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #16CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5060.4Standard non polar33892256
Elamipretide,2TBDMS,isomer #16CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9962.5Standard polar33892256
Elamipretide,2TBDMS,isomer #17CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C6035.0Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #17CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C5047.4Standard non polar33892256
Elamipretide,2TBDMS,isomer #17CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C9844.6Standard polar33892256
Elamipretide,2TBDMS,isomer #18CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5984.1Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #18CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4985.7Standard non polar33892256
Elamipretide,2TBDMS,isomer #18CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C10184.5Standard polar33892256
Elamipretide,2TBDMS,isomer #19CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O6014.8Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #19CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5031.5Standard non polar33892256
Elamipretide,2TBDMS,isomer #19CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10257.2Standard polar33892256
Elamipretide,2TBDMS,isomer #2CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O6033.0Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #2CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O4889.6Standard non polar33892256
Elamipretide,2TBDMS,isomer #2CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O10210.6Standard polar33892256
Elamipretide,2TBDMS,isomer #20CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5999.4Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #20CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C4961.8Standard non polar33892256
Elamipretide,2TBDMS,isomer #20CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C10243.0Standard polar33892256
Elamipretide,2TBDMS,isomer #21CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5994.8Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #21CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C4971.5Standard non polar33892256
Elamipretide,2TBDMS,isomer #21CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C10205.4Standard polar33892256
Elamipretide,2TBDMS,isomer #22CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C6044.6Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #22CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C5134.7Standard non polar33892256
Elamipretide,2TBDMS,isomer #22CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C9783.1Standard polar33892256
Elamipretide,2TBDMS,isomer #23CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C5993.4Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #23CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C5073.0Standard non polar33892256
Elamipretide,2TBDMS,isomer #23CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C10126.8Standard polar33892256
Elamipretide,2TBDMS,isomer #24CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C6011.4Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #24CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5044.8Standard non polar33892256
Elamipretide,2TBDMS,isomer #24CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C10189.5Standard polar33892256
Elamipretide,2TBDMS,isomer #25CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O6137.7Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #25CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5159.2Standard non polar33892256
Elamipretide,2TBDMS,isomer #25CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O10284.1Standard polar33892256
Elamipretide,2TBDMS,isomer #26CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5997.1Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #26CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5059.6Standard non polar33892256
Elamipretide,2TBDMS,isomer #26CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C10148.7Standard polar33892256
Elamipretide,2TBDMS,isomer #27CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C5877.6Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #27CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C5066.9Standard non polar33892256
Elamipretide,2TBDMS,isomer #27CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C10021.9Standard polar33892256
Elamipretide,2TBDMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5886.4Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5041.6Standard non polar33892256
Elamipretide,2TBDMS,isomer #28CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C10080.2Standard polar33892256
Elamipretide,2TBDMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5883.0Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5055.0Standard non polar33892256
Elamipretide,2TBDMS,isomer #29CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C10076.8Standard polar33892256
Elamipretide,2TBDMS,isomer #3CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O6040.8Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #3CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5000.6Standard non polar33892256
Elamipretide,2TBDMS,isomer #3CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O10141.3Standard polar33892256
Elamipretide,2TBDMS,isomer #30CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5977.1Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #30CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5122.2Standard non polar33892256
Elamipretide,2TBDMS,isomer #30CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C10115.5Standard polar33892256
Elamipretide,2TBDMS,isomer #31CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C5794.2Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #31CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C5005.5Standard non polar33892256
Elamipretide,2TBDMS,isomer #31CC1=CC(O)=CC(C)=C1CC(C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C10412.7Standard polar33892256
Elamipretide,2TBDMS,isomer #32CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C5813.3Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #32CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C4996.2Standard non polar33892256
Elamipretide,2TBDMS,isomer #32CC1=CC(O)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C10372.2Standard polar33892256
Elamipretide,2TBDMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5807.2Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4989.1Standard non polar33892256
Elamipretide,2TBDMS,isomer #33CC1=CC(O)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C10431.3Standard polar33892256
Elamipretide,2TBDMS,isomer #4CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C5940.3Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #4CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C4990.7Standard non polar33892256
Elamipretide,2TBDMS,isomer #4CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C10040.0Standard polar33892256
Elamipretide,2TBDMS,isomer #5CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C5871.7Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #5CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C4925.1Standard non polar33892256
Elamipretide,2TBDMS,isomer #5CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C10368.3Standard polar33892256
Elamipretide,2TBDMS,isomer #6CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5881.5Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #6CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C4907.3Standard non polar33892256
Elamipretide,2TBDMS,isomer #6CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N(C(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C10421.8Standard polar33892256
Elamipretide,2TBDMS,isomer #7CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C5877.4Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #7CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C4911.5Standard non polar33892256
Elamipretide,2TBDMS,isomer #7CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)=C1CC(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C10387.3Standard polar33892256
Elamipretide,2TBDMS,isomer #8CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O6058.1Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #8CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O5026.4Standard non polar33892256
Elamipretide,2TBDMS,isomer #8CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(N)=O9874.4Standard polar33892256
Elamipretide,2TBDMS,isomer #9CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O6065.1Semi standard non polar33892256
Elamipretide,2TBDMS,isomer #9CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O5117.4Standard non polar33892256
Elamipretide,2TBDMS,isomer #9CC1=CC(O)=CC(C)=C1CC(NC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O9814.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TBDMS_1_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TBDMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TBDMS_1_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Elamipretide GC-MS (TBDMS_1_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elamipretide 10V, Positive-QTOFsplash10-0006-0001029000-f1ae14deaead24d18c492021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elamipretide 20V, Positive-QTOFsplash10-08mi-1645196000-be282a04a7fce34e5d9a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elamipretide 40V, Positive-QTOFsplash10-00di-9530000000-8696e4e10ca5ffba2b362021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elamipretide 10V, Negative-QTOFsplash10-000i-0000009000-d5d5ec8b8a329b98978a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elamipretide 20V, Negative-QTOFsplash10-006x-9622265000-96f21b28cf5e1130f56a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Elamipretide 40V, Negative-QTOFsplash10-0006-7921100000-428a8bb12ec6cb7ede7d2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID28563708
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound73091690
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]