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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 10:18:48 UTC

Update Date

2021-09-26 23:05:00 UTC

HMDB ID

HMDB0252425

Secondary Accession Numbers

None

Metabolite Identification

Common Name

H-Phe-D-met-arg-phe-NH2

Description

H-Phe-D-met-arg-phe-NH2 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 H-Phe-D-met-arg-phe-NH2. This compound has been identified in human blood as reported by (PMID: 31557052 ). H-phe-d-met-arg-phe-nh2 is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically H-Phe-D-met-arg-phe-NH2 is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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


  Mrv1652309112112192D          

 42 43  0  0  0  0            999 V2000
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868  -11.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158  -11.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 40 41  2  0  0  0  0
 36 41  1  0  0  0  0
 34 42  1  0  0  0  0
M  END

HMDB0252425
     RDKit          3D
H-Phe-D-met-arg-phe-NH2
 84 85  0  0  0  0  0  0  0  0999 V2000
   -4.6913    2.1361   -1.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 82  1  0
 41 83  1  0
 41 84  1  0
M  END


  Mrv1652309112112192D          

 42 43  0  0  0  0            999 V2000
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  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
 22 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 36 41  1  0  0  0  0
 34 42  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252425

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)

> <INCHI_KEY>
WCSPDMCSKYUFBX-UHFFFAOYSA-N

> <FORMULA>
C29H42N8O4S

> <MOLECULAR_WEIGHT>
598.77

> <EXACT_MASS>
598.304973038

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
64.42905363176095

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(2-amino-3-phenylpropanamido)-4-(methylsulfanyl)butanamido]-N-(1-carbamoyl-2-phenylethyl)-5-[(diaminomethylidene)amino]pentanamide

> <ALOGPS_LOGP>
-0.04

> <JCHEM_LOGP>
-0.2408395039856107

> <ALOGPS_LOGS>
-4.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.56486584062948

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.03872085913141

> <JCHEM_PKA_STRONGEST_BASIC>
10.809885616412357

> <JCHEM_POLAR_SURFACE_AREA>
220.81

> <JCHEM_REFRACTIVITY>
163.67139999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.46e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-(2-amino-3-phenylpropanamido)-4-(methylsulfanyl)butanamido]-N-(1-carbamoyl-2-phenylethyl)-5-[(diaminomethylidene)amino]pentanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0252425
     RDKit          3D
H-Phe-D-met-arg-phe-NH2
 84 85  0  0  0  0  0  0  0  0999 V2000
   -4.6913    2.1361   -1.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1002    2.2730    0.7007 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136    2.0012    1.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2117    0.6090    1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0919   -0.2515    1.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6463   -1.5763    0.9111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213   -1.4175   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107   -0.4091   -1.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720   -2.2894   -1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1791   -3.4628   -0.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0594   -1.6047   -1.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1314   -1.4095   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1770   -0.9152    0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3617   -0.5127    1.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6009   -0.6598    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5829   -1.1651   -0.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4243   -1.5428   -1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    0.1094    1.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0737   -1.0483    1.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    1.0157    0.5479 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    0.5275    0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.7046    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902    2.3085   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912    3.7186   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709    4.7354   -0.4873 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519    5.9809   -0.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895    6.3696   -1.1827 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761    6.7370   -0.2511 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304   -0.1997   -0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8349    0.2431   -1.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -0.8264   -0.6861 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0066   -1.4711   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1238   -2.8242    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3888   -3.4766   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6370   -4.6301   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7824   -5.3023   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -4.7424   -0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7970   -3.5585    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6205   -2.8770    0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1589   -0.6230   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6576    0.4959    0.2817 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   -0.9789   -1.3278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7873    1.4706   -1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3397    3.1240   -1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5452    1.8010   -1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5467    2.3697    2.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981    2.6300    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1079    0.0875    1.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402    0.3820    0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -0.5453    2.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6544   -2.4206    1.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402   -2.5928   -2.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3286   -4.1095   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -3.9342   -0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6731   -0.4511   -1.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4403   -1.7195   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2918   -0.9834    1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3597   -0.1345    2.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5423   -0.2799    0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4825   -1.2926   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4179   -1.9441   -2.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805    1.9975    0.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.2198    1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    2.4898    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071    1.5723    1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395    2.3398   -1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555    1.7950   -1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    3.8188    0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9648    3.9337   -1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3026    5.7837   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    7.2488   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    7.0487   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0341    7.0689    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3367   -0.7232   -2.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230   -0.9606    0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232   -3.4177    0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2056   -2.5741    1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044   -5.1360   -1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8325   -6.2472   -1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8444   -5.2268   -0.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -3.1650    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5353   -1.9937    1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4221    0.6374    1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2342    1.2818   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 26 28  1  0
 21 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 32 40  1  0
 40 41  1  0
 40 42  2  0
 17 12  1  0
 39 34  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  3 46  1  0
  3 47  1  0
  4 48  1  0
  4 49  1  0
  5 50  1  0
  6 51  1  0
  9 52  1  0
 10 53  1  0
 10 54  1  0
 11 55  1  0
 11 56  1  0
 13 57  1  0
 14 58  1  0
 15 59  1  0
 16 60  1  0
 17 61  1  0
 20 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 23 66  1  0
 23 67  1  0
 24 68  1  0
 24 69  1  0
 27 70  1  0
 27 71  1  0
 28 72  1  0
 28 73  1  0
 31 74  1  0
 32 75  1  0
 33 76  1  0
 33 77  1  0
 35 78  1  0
 36 79  1  0
 37 80  1  0
 38 81  1  0
 39 82  1  0
 41 83  1  0
 41 84  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM    2  S   UNK     0      14.670 -10.010   0.000  0.00  0.00           S+0
HETATM    3  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      14.670 -16.170   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      13.337 -13.860   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669 -16.940   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669 -18.480   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       9.336 -19.250   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       9.336 -20.790   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       8.002 -21.560   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      10.669 -21.560   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      10.669 -12.320   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0       9.336 -14.630   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001 -14.630   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0       9.336 -11.550   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0      17.338 -14.630   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      18.672 -12.320   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      22.673 -14.630   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      24.006 -13.860   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      25.340 -14.630   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      25.340 -16.170   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      24.006 -16.940   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      22.673 -16.170   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0      20.005 -16.170   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   31                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    9   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
CONECT   28   20   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31    5   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   42                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   41                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   36                                                       
CONECT   42   34                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   86    0
END

COMPND    HMDB0252425
HETATM    1  C1  UNL     1      -4.691   2.136  -1.027  1.00  0.00           C  
HETATM    2  S1  UNL     1      -5.100   2.273   0.701  1.00  0.00           S  
HETATM    3  C2  UNL     1      -3.414   2.001   1.563  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.212   0.609   1.255  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.092  -0.252   1.501  1.00  0.00           C  
HETATM    6  N1  UNL     1      -2.646  -1.576   0.911  1.00  0.00           N  
HETATM    7  C5  UNL     1      -2.921  -1.418  -0.356  1.00  0.00           C  
HETATM    8  O1  UNL     1      -2.511  -0.409  -1.090  1.00  0.00           O  
HETATM    9  C6  UNL     1      -3.772  -2.289  -1.251  1.00  0.00           C  
HETATM   10  N2  UNL     1      -4.179  -3.463  -0.359  1.00  0.00           N  
HETATM   11  C7  UNL     1      -5.059  -1.605  -1.570  1.00  0.00           C  
HETATM   12  C8  UNL     1      -6.131  -1.410  -0.601  1.00  0.00           C  
HETATM   13  C9  UNL     1      -6.177  -0.915   0.648  1.00  0.00           C  
HETATM   14  C10 UNL     1      -7.362  -0.513   1.390  1.00  0.00           C  
HETATM   15  C11 UNL     1      -8.601  -0.660   0.649  1.00  0.00           C  
HETATM   16  C12 UNL     1      -8.583  -1.165  -0.618  1.00  0.00           C  
HETATM   17  C13 UNL     1      -7.424  -1.543  -1.198  1.00  0.00           C  
HETATM   18  C14 UNL     1      -0.854   0.109   1.074  1.00  0.00           C  
HETATM   19  O2  UNL     1      -0.074  -1.048   1.317  1.00  0.00           O  
HETATM   20  N3  UNL     1       0.026   1.016   0.548  1.00  0.00           N  
HETATM   21  C15 UNL     1       1.370   0.528   0.618  1.00  0.00           C  
HETATM   22  C16 UNL     1       2.246   1.705   0.525  1.00  0.00           C  
HETATM   23  C17 UNL     1       2.490   2.309  -0.792  1.00  0.00           C  
HETATM   24  C18 UNL     1       3.091   3.719  -0.545  1.00  0.00           C  
HETATM   25  N4  UNL     1       1.971   4.735  -0.487  1.00  0.00           N  
HETATM   26  C19 UNL     1       2.152   5.981  -0.784  1.00  0.00           C  
HETATM   27  N5  UNL     1       3.389   6.370  -1.183  1.00  0.00           N  
HETATM   28  N6  UNL     1       1.076   6.737  -0.251  1.00  0.00           N  
HETATM   29  C20 UNL     1       1.730  -0.200  -0.987  1.00  0.00           C  
HETATM   30  O3  UNL     1       0.835   0.243  -1.559  1.00  0.00           O  
HETATM   31  N7  UNL     1       2.854  -0.826  -0.686  1.00  0.00           N  
HETATM   32  C21 UNL     1       4.007  -1.471  -0.422  1.00  0.00           C  
HETATM   33  C22 UNL     1       4.124  -2.824   0.204  1.00  0.00           C  
HETATM   34  C23 UNL     1       5.389  -3.477  -0.003  1.00  0.00           C  
HETATM   35  C24 UNL     1       5.637  -4.630  -0.657  1.00  0.00           C  
HETATM   36  C25 UNL     1       6.782  -5.302  -0.871  1.00  0.00           C  
HETATM   37  C26 UNL     1       7.892  -4.742  -0.338  1.00  0.00           C  
HETATM   38  C27 UNL     1       7.797  -3.558   0.387  1.00  0.00           C  
HETATM   39  C28 UNL     1       6.620  -2.877   0.598  1.00  0.00           C  
HETATM   40  C29 UNL     1       5.159  -0.623  -0.426  1.00  0.00           C  
HETATM   41  N8  UNL     1       5.658   0.496   0.282  1.00  0.00           N  
HETATM   42  O4  UNL     1       6.160  -0.979  -1.328  1.00  0.00           O  
HETATM   43  H1  UNL     1      -3.787   1.471  -1.195  1.00  0.00           H  
HETATM   44  H2  UNL     1      -4.340   3.124  -1.443  1.00  0.00           H  
HETATM   45  H3  UNL     1      -5.545   1.801  -1.683  1.00  0.00           H  
HETATM   46  H4  UNL     1      -3.547   2.370   2.538  1.00  0.00           H  
HETATM   47  H5  UNL     1      -2.698   2.630   1.042  1.00  0.00           H  
HETATM   48  H6  UNL     1      -4.108   0.088   1.956  1.00  0.00           H  
HETATM   49  H7  UNL     1      -3.740   0.382   0.176  1.00  0.00           H  
HETATM   50  H8  UNL     1      -2.022  -0.545   2.702  1.00  0.00           H  
HETATM   51  H9  UNL     1      -2.654  -2.421   1.486  1.00  0.00           H  
HETATM   52  H10 UNL     1      -3.240  -2.593  -2.076  1.00  0.00           H  
HETATM   53  H11 UNL     1      -3.329  -4.110  -0.432  1.00  0.00           H  
HETATM   54  H12 UNL     1      -5.004  -3.934  -0.823  1.00  0.00           H  
HETATM   55  H13 UNL     1      -4.673  -0.451  -1.781  1.00  0.00           H  
HETATM   56  H14 UNL     1      -5.440  -1.719  -2.560  1.00  0.00           H  
HETATM   57  H15 UNL     1      -5.292  -0.983   1.267  1.00  0.00           H  
HETATM   58  H16 UNL     1      -7.360  -0.135   2.258  1.00  0.00           H  
HETATM   59  H17 UNL     1      -9.542  -0.280   0.970  1.00  0.00           H  
HETATM   60  H18 UNL     1      -9.483  -1.293  -1.198  1.00  0.00           H  
HETATM   61  H19 UNL     1      -7.418  -1.944  -2.194  1.00  0.00           H  
HETATM   62  H20 UNL     1      -0.181   1.997   0.162  1.00  0.00           H  
HETATM   63  H21 UNL     1       1.522  -0.220   1.245  1.00  0.00           H  
HETATM   64  H22 UNL     1       1.774   2.490   1.147  1.00  0.00           H  
HETATM   65  H23 UNL     1       3.207   1.572   1.057  1.00  0.00           H  
HETATM   66  H24 UNL     1       1.640   2.340  -1.459  1.00  0.00           H  
HETATM   67  H25 UNL     1       3.356   1.795  -1.328  1.00  0.00           H  
HETATM   68  H26 UNL     1       3.267   3.819   0.621  1.00  0.00           H  
HETATM   69  H27 UNL     1       3.965   3.934  -1.031  1.00  0.00           H  
HETATM   70  H28 UNL     1       4.303   5.784  -1.044  1.00  0.00           H  
HETATM   71  H29 UNL     1       3.656   7.249  -1.780  1.00  0.00           H  
HETATM   72  H30 UNL     1       0.228   7.049  -0.723  1.00  0.00           H  
HETATM   73  H31 UNL     1       1.034   7.069   0.819  1.00  0.00           H  
HETATM   74  H32 UNL     1       3.337  -0.723  -2.036  1.00  0.00           H  
HETATM   75  H33 UNL     1       3.723  -0.961   0.964  1.00  0.00           H  
HETATM   76  H34 UNL     1       3.223  -3.418   0.197  1.00  0.00           H  
HETATM   77  H35 UNL     1       4.206  -2.574   1.446  1.00  0.00           H  
HETATM   78  H36 UNL     1       4.704  -5.136  -1.070  1.00  0.00           H  
HETATM   79  H37 UNL     1       6.832  -6.247  -1.374  1.00  0.00           H  
HETATM   80  H38 UNL     1       8.844  -5.227  -0.339  1.00  0.00           H  
HETATM   81  H39 UNL     1       8.737  -3.165   0.737  1.00  0.00           H  
HETATM   82  H40 UNL     1       6.535  -1.994   1.173  1.00  0.00           H  
HETATM   83  H41 UNL     1       5.422   0.637   1.326  1.00  0.00           H  
HETATM   84  H42 UNL     1       6.234   1.282  -0.155  1.00  0.00           H  
CONECT    1    2   43   44   45
CONECT    2    3
CONECT    3    4   46   47
CONECT    4    5   48   49
CONECT    5    6   18   50
CONECT    6    7   51
CONECT    7    8    8    9
CONECT    9   10   11   52
CONECT   10   53   54
CONECT   11   12   55   56
CONECT   12   13   13   17
CONECT   13   14   57
CONECT   14   15   15   58
CONECT   15   16   59
CONECT   16   17   17   60
CONECT   17   61
CONECT   18   19   19   20
CONECT   20   21   62
CONECT   21   22   29   63
CONECT   22   23   64   65
CONECT   23   24   66   67
CONECT   24   25   68   69
CONECT   25   26   26
CONECT   26   27   28
CONECT   27   70   71
CONECT   28   72   73
CONECT   29   30   30   31
CONECT   31   32   74
CONECT   32   33   40   75
CONECT   33   34   76   77
CONECT   34   35   35   39
CONECT   35   36   78
CONECT   36   37   37   79
CONECT   37   38   80
CONECT   38   39   39   81
CONECT   39   82
CONECT   40   41   42   42
CONECT   41   83   84
END

HMDB0252425
     RDKit          3D
H-Phe-D-met-arg-phe-NH2
 84 85  0  0  0  0  0  0  0  0999 V2000
   -4.6913    2.1361   -1.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1002    2.2730    0.7007 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136    2.0012    1.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2117    0.6090    1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0919   -0.2515    1.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6463   -1.5763    0.9111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213   -1.4175   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107   -0.4091   -1.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720   -2.2894   -1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1791   -3.4628   -0.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0594   -1.6047   -1.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1314   -1.4095   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1770   -0.9152    0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3617   -0.5127    1.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6009   -0.6598    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5829   -1.1651   -0.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4243   -1.5428   -1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    0.1094    1.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0737   -1.0483    1.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    1.0157    0.5479 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    0.5275    0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.7046    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902    2.3085   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912    3.7186   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709    4.7354   -0.4873 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519    5.9809   -0.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895    6.3696   -1.1827 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761    6.7370   -0.2511 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304   -0.1997   -0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8349    0.2431   -1.5594 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -0.8264   -0.6861 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0066   -1.4711   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1238   -2.8242    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3888   -3.4766   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6370   -4.6301   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7824   -5.3023   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -4.7424   -0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7970   -3.5585    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6205   -2.8770    0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1589   -0.6230   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6576    0.4959    0.2817 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   -0.9789   -1.3278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7873    1.4706   -1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3397    3.1240   -1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5452    1.8010   -1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5467    2.3697    2.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981    2.6300    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1079    0.0875    1.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402    0.3820    0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -0.5453    2.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6544   -2.4206    1.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402   -2.5928   -2.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3286   -4.1095   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -3.9342   -0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6731   -0.4511   -1.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4403   -1.7195   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2918   -0.9834    1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3597   -0.1345    2.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5423   -0.2799    0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4825   -1.2926   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4179   -1.9441   -2.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805    1.9975    0.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.2198    1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    2.4898    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071    1.5723    1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395    2.3398   -1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555    1.7950   -1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    3.8188    0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9648    3.9337   -1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3026    5.7837   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    7.2488   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    7.0487   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0341    7.0689    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3367   -0.7232   -2.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230   -0.9606    0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232   -3.4177    0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2056   -2.5741    1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044   -5.1360   -1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8325   -6.2472   -1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8444   -5.2268   -0.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -3.1650    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5353   -1.9937    1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4221    0.6374    1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2342    1.2818   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 26 28  1  0
 21 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 32 40  1  0
 40 41  1  0
 40 42  2  0
 17 12  1  0
 39 34  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  3 46  1  0
  3 47  1  0
  4 48  1  0
  4 49  1  0
  5 50  1  0
  6 51  1  0
  9 52  1  0
 10 53  1  0
 10 54  1  0
 11 55  1  0
 11 56  1  0
 13 57  1  0
 14 58  1  0
 15 59  1  0
 16 60  1  0
 17 61  1  0
 20 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 23 66  1  0
 23 67  1  0
 24 68  1  0
 24 69  1  0
 27 70  1  0
 27 71  1  0
 28 72  1  0
 28 73  1  0
 31 74  1  0
 32 75  1  0
 33 76  1  0
 33 77  1  0
 35 78  1  0
 36 79  1  0
 37 80  1  0
 38 81  1  0
 39 82  1  0
 41 83  1  0
 41 84  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(methylsulfanyl)butylidene}amino)-5-carbamimidamido-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]pentanimidate	HMDB
2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(methylsulphanyl)butylidene}amino)-5-carbamimidamido-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]pentanimidate	HMDB
2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(methylsulphanyl)butylidene}amino)-5-carbamimidamido-N-[1-(C-hydroxycarbonimidoyl)-2-phenylethyl]pentanimidic acid	HMDB

Chemical Formula

C₂₉H₄₂N₈O₄S

Average Molecular Weight

598.77

Monoisotopic Molecular Weight

598.304973038

IUPAC Name

2-[2-(2-amino-3-phenylpropanamido)-4-(methylsulfanyl)butanamido]-N-(1-carbamoyl-2-phenylethyl)-5-[(diaminomethylidene)amino]pentanamide

Traditional Name

2-[2-(2-amino-3-phenylpropanamido)-4-(methylsulfanyl)butanamido]-N-(1-carbamoyl-2-phenylethyl)-5-[(diaminomethylidene)amino]pentanamide

CAS Registry Number

Not Available

SMILES

CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O

InChI Identifier

InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)

InChI Key

WCSPDMCSKYUFBX-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Phenylalanine or derivatives
Methionine 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
Aralkylamine
Fatty acyl
Monocyclic benzene moiety
N-acyl-amine
Benzenoid
Fatty amide
Guanidine
Carboxamide group
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid or derivatives
Dialkylthioether
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Sulfenyl compound
Carboximidamide
Thioether
Hydrocarbon derivative
Amine
Organic oxide
Carbonyl group
Organic oxygen compound
Primary aliphatic amine
Organic nitrogen compound
Primary amine
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.04	ALOGPS
logP	-0.24	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	12.04	ChemAxon
pKa (Strongest Basic)	10.81	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	220.81 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	163.67 m³·mol⁻¹	ChemAxon
Polarizability	64.43 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	226.948	30932474
DeepCCS	[M-H]-	224.552	30932474
DeepCCS	[M-2H]-	257.436	30932474
DeepCCS	[M+Na]+	232.86	30932474
AllCCS	[M+H]+	241.5	32859911
AllCCS	[M+H-H2O]+	240.6	32859911
AllCCS	[M+NH4]+	242.3	32859911
AllCCS	[M+Na]+	242.6	32859911
AllCCS	[M-H]-	217.2	32859911
AllCCS	[M+Na-2H]-	220.0	32859911
AllCCS	[M+HCOO]-	223.3	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	12.2891 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	4.92 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1129.1 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	175.5 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	167.0 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	177.3 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	139.0 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	370.6 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	401.0 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1108.0 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	970.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	433.9 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	875.7 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	258.8 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	314.7 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	330.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	786.1 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	31.0 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
H-Phe-D-met-arg-phe-NH2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5055.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	3559.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5625.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5198.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4524.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	9221.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5237.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4477.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	9341.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #3	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5151.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #3	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4503.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #3	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	9181.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #4	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5022.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #4	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4432.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #4	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	9522.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5015.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4396.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	9596.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #6	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5058.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #6	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4415.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TMS,isomer #6	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	9541.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5218.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4472.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8713.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #10	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5057.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #10	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4356.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #10	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	9122.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #11	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5175.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #11	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4450.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #11	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	9112.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5102.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4377.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	9060.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #13	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4984.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #13	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4457.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #13	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8853.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4974.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4419.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	8939.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #15	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5008.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #15	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4449.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #15	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	8932.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #16	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5134.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #16	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4551.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #16	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	8961.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #17	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4878.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #17	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4381.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #17	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	9301.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #18	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4899.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #18	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4372.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #18	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	9242.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4898.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4362.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	9320.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5149.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4505.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	8490.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	5035.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4450.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8995.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5179.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4578.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	9039.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5010.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4414.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8997.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5045.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4431.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8938.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5308.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4302.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8767.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5193.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4466.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	8648.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #9	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5074.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #9	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4390.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TMS,isomer #9	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	9041.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5276.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4283.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8006.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4978.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4441.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	8209.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #11	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5004.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #11	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4471.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #11	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	8204.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #12	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5119.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #12	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4560.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #12	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	8237.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #13	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4919.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #13	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4401.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #13	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8732.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #14	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4922.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #14	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4404.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #14	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8668.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #15	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5062.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #15	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4535.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #15	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8777.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #16	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5059.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #16	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4511.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #16	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8777.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5081.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4514.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8721.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #18	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4906.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #18	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4379.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #18	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	8677.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5244.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4289.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	7922.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5172.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4462.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	7925.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #20	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5131.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #20	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4220.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #20	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8353.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #21	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5119.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #21	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4177.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #21	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8445.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #22	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5153.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #22	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4244.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #22	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8357.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #23	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5146.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #23	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4211.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #23	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8367.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #24	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5032.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #24	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4408.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #24	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8289.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #25	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5015.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #25	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4365.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #25	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	8376.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #26	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5068.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #26	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4401.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #26	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	8389.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #27	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5050.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #27	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4400.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #27	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	8364.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #28	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5171.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #28	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4501.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #28	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	8399.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #29	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4953.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #29	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4317.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #29	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8799.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	5068.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4395.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8449.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #30	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5026.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #30	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4340.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #30	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8803.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #31	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4951.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #31	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4330.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #31	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8729.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #32	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5016.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #32	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4302.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #32	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8880.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #33	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4954.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #33	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4304.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #33	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	8814.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #34	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5031.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #34	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4322.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #34	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8818.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #35	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4860.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #35	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4413.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #35	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8583.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #36	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4880.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #36	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4431.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #36	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8567.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #37	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4994.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #37	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4535.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #37	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8603.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #38	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4878.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #38	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4405.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #38	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8650.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #39	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4990.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #39	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4501.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #39	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8679.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5207.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4517.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8499.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #40	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5001.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #40	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4523.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #40	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8673.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #41	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4804.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #41	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4354.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #41	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	9003.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5038.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4352.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8453.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5108.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4395.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8467.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #7	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5072.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #7	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4381.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #7	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8382.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #8	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	5000.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #8	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4476.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #8	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8209.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5120.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4585.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,3TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	8262.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5216.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4290.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	7158.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5036.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4376.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	7698.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #11	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5017.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #11	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4406.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #11	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	7646.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #12	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5136.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #12	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4482.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #12	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	7685.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #13	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4942.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #13	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4326.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #13	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8190.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #14	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	5012.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #14	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4318.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #14	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8218.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #15	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4933.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #15	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4349.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #15	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8119.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #16	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5126.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #16	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4454.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #16	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8234.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5087.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4427.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8234.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #18	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5177.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #18	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4435.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #18	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8268.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #19	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5120.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #19	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4455.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #19	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8173.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #2	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	5121.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #2	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4221.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #2	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	7677.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #20	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4989.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #20	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4283.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #20	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8221.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #21	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4926.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #21	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4316.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #21	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	8131.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #22	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4993.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #22	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4312.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #22	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8157.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #23	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4893.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #23	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4440.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #23	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	7945.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #24	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4893.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #24	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4461.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #24	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	7934.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #25	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	5011.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #25	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4541.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #25	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	7968.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #26	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5028.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #26	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4557.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #26	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7994.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #27	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5014.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #27	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4538.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #27	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	7990.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #28	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5048.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #28	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4562.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #28	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	7989.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #29	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5163.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #29	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4647.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #29	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	8020.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #3	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5249.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #3	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4318.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #3	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	7734.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #30	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4885.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #30	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4429.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #30	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7941.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #31	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4984.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #31	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4511.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #31	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7964.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #32	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5007.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #32	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4529.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #32	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7964.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #33	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4853.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #33	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4391.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #33	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	8430.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #34	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5018.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #34	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4498.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #34	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8524.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #35	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5016.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #35	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4500.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #35	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8467.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #36	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	5000.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #36	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4485.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #36	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	8474.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #37	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5078.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #37	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4253.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #37	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	7490.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #38	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5061.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #38	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4219.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #38	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	7596.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #39	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5077.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #39	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4239.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #39	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	7494.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5095.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4188.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7682.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #40	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	5081.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #40	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4247.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #40	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	7580.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #41	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5197.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #41	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4302.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #41	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	7619.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #42	CSCCC(C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5019.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #42	CSCCC(C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4153.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #42	CSCCC(C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8054.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #43	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5028.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #43	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4171.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #43	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	7959.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #44	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5002.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #44	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4187.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #44	CSCCC(C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	7974.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #45	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5012.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #45	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4142.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #45	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8044.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #46	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	5000.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #46	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4151.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #46	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	8066.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #47	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5094.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #47	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4239.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #47	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	7927.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #48	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5018.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #48	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4171.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #48	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7972.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #49	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4924.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #49	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4343.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #49	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8036.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5122.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4221.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	7588.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #50	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4973.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #50	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4338.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #50	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8058.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #51	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4913.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #51	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4369.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #51	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8017.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #52	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	5043.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #52	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4447.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #52	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8051.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #53	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4956.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #53	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4309.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #53	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	8138.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #54	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4907.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #54	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4339.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #54	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8102.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #55	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5008.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #55	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4418.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #55	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8126.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #56	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4973.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #56	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4342.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #56	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	8126.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #57	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5101.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #57	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4429.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #57	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	8157.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #58	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5069.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #58	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4442.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #58	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8119.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #59	CSCCC(C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4966.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #59	CSCCC(C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4259.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #59	CSCCC(C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8582.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5106.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4224.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7602.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #60	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4898.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #60	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4290.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #60	CSCCC(C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8502.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #61	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4941.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #61	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4279.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #61	CSCCC(C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8517.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #62	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4949.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #62	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4254.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #62	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	8593.9	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #63	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4819.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #63	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4405.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #63	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8327.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #64	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4922.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #64	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4488.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #64	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8351.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #65	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4935.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #65	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	4499.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #65	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C	8338.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #66	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4943.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #66	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4485.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #66	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8409.7	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #7	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	5018.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #7	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	4412.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #7	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)[Si](C)(C)C	7653.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	5148.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	4516.2	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C	7710.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4990.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	4375.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,4TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C)[Si](C)(C)C	7654.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5374.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4686.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	9119.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5447.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4627.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	9218.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #3	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	5370.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #3	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	4672.8	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #3	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	9061.8	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #4	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	5270.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #4	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	4602.9	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #4	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	9414.3	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5266.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4568.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	9472.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #6	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5296.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #6	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4594.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,1TBDMS,isomer #6	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	9430.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5570.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4766.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8547.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #10	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5476.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #10	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4652.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #10	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	8921.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #11	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5511.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #11	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4736.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #11	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8935.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5500.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4675.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	8871.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #13	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	5404.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #13	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	4777.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #13	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	8664.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5393.3	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4741.5	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8725.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #15	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5425.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #15	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4758.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #15	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8719.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #16	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5504.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #16	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4830.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #16	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8767.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #17	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	5304.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #17	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	4703.3	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #17	CSCCC(C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	9118.4	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #18	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	5334.6	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #18	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	4693.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #18	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	9067.2	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5316.1	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4695.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #19	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)N(C(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	9133.0	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	5507.4	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	4829.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #2	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	8328.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5441.5	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4767.6	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #3	CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8808.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5549.8	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4841.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8873.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5410.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4741.4	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	8808.1	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5428.7	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	4761.0	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=CC=C1)N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N(C(CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	8762.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	5682.2	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	4606.7	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O	8467.6	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	5557.0	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	4756.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N[Si](C)(C)C(C)(C)C	8462.5	Standard polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #9	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	5492.9	Semi standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #9	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	4682.1	Standard non polar	33892256
H-Phe-D-met-arg-phe-NH2,2TBDMS,isomer #9	CSCCC(C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O)N(C(=O)C(N)CC1=CC=CC=C1)[Si](C)(C)C(C)(C)C	8859.0	Standard polar	33892256

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

3619070

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4418610

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for H-Phe-D-met-arg-phe-NH2 (HMDB0252425)

MOL for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

3D MOL for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

3D SDF for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

3D-SDF for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

PDB for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

3D PDB for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

SMILES for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

INCHI for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

Structure for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

3D Structure for HMDB0252425 (H-Phe-D-met-arg-phe-NH2)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized