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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 10:19:13 UTC

Update Date

2021-09-26 23:05:01 UTC

HMDB ID

HMDB0252432

Secondary Accession Numbers

None

Metabolite Identification

Common Name

N-Formyl-met-leu-phe-lys

Description

fMLFK, also known as F-met-leu-phe-lys or FMLPL, 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 fMLFK. This compound has been identified in human blood as reported by (PMID: 31557052 ). N-formyl-met-leu-phe-lys is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N-Formyl-met-leu-phe-lys 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          

 39 39  0  0  0  0            999 V2000
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 29  1  0  0  0  0
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 35 36  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END

HMDB0252432
     RDKit          3D
N-Formyl-met-leu-phe-lys
 82 82  0  0  0  0  0  0  0  0999 V2000
   -7.6574    2.3736    1.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 76  1  0
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 35 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 39 82  1  0
M  END


  Mrv1652309112112192D          

 39 39  0  0  0  0            999 V2000
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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
 15 16  2  0  0  0  0
 11 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  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252432

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C27H43N5O6S/c1-18(2)15-22(31-24(34)20(29-17-33)12-14-39-3)25(35)32-23(16-19-9-5-4-6-10-19)26(36)30-21(27(37)38)11-7-8-13-28/h4-6,9-10,17-18,20-23H,7-8,11-16,28H2,1-3H3,(H,29,33)(H,30,36)(H,31,34)(H,32,35)(H,37,38)

> <INCHI_KEY>
OERILMBTPCSYNG-UHFFFAOYSA-N

> <FORMULA>
C27H43N5O6S

> <MOLECULAR_WEIGHT>
565.73

> <EXACT_MASS>
565.293405299

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
61.48609416735819

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-(2-{2-[2-formamido-4-(methylsulfanyl)butanamido]-4-methylpentanamido}-3-phenylpropanamido)hexanoic acid

> <ALOGPS_LOGP>
-0.50

> <JCHEM_LOGP>
-1.2511425730584764

> <ALOGPS_LOGS>
-4.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.156016365590048

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6614748834792796

> <JCHEM_PKA_STRONGEST_BASIC>
10.199805349175989

> <JCHEM_POLAR_SURFACE_AREA>
179.71999999999997

> <JCHEM_REFRACTIVITY>
150.0363

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.73e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-(2-{2-[2-formamido-4-(methylsulfanyl)butanamido]-4-methylpentanamido}-3-phenylpropanamido)hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0252432
     RDKit          3D
N-Formyl-met-leu-phe-lys
 82 82  0  0  0  0  0  0  0  0999 V2000
   -7.6574    2.3736    1.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2283    3.5524    0.0086 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6561    4.3483    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276    3.3324    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4042    2.7422   -0.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1243    3.7405   -1.9505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0192    4.0462   -2.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1232    3.4818   -3.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3895    1.6772   -1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103    1.7303   -1.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3075    0.5779   -0.1332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843   -0.4436   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7617   -1.8044    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -2.2897   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094   -2.3754   -2.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2730   -3.6895   -0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084   -0.1096    0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0748    0.9355    1.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085   -0.9777    0.6230 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088   -0.7746    1.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3431   -1.7774    2.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3974   -3.1854    2.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6036   -3.8486    1.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872   -5.1730    1.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579   -5.8802    1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -5.2125    1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2580   -3.9039    1.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778   -0.6507    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479   -0.6981   -0.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7195   -0.4811    0.9045 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7606   -0.3378   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4999    0.9512    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319    1.1706   -0.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2768    2.4944   -0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3900    3.6909   -0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    4.9051   -0.5455 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6496   -1.4971   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4882   -2.3859    0.7858 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663   -1.6924   -0.9891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0828    2.6203    2.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3171    1.3605    0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7568    2.3549    1.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4331    5.2038   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7858    4.7953    1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031    3.8133    0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8129    2.5530    1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4186    2.2879   -1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    4.2744   -1.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7436    4.8075   -3.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0190    0.5227    0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8696   -0.3909   -1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9351   -2.5192   -0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0193   -1.7659    1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8260   -1.6420   -0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9776   -3.3111   -2.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -2.3723   -2.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0761   -1.5362   -2.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -4.1106   -0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3512   -4.3102   -0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4707   -3.5653    0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231   -1.8410    0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1246    0.2255    1.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895   -1.6365    3.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3257   -1.5608    3.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4905   -3.2967    2.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6489   -5.6190    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6644   -6.9047    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5313   -5.8016    1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6856   -3.3956    1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237   -0.4502    1.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2562   -0.2741   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0085    0.9416    1.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8110    1.8286    0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3235    0.3943   -0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1469    1.1516   -1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9719    2.5738   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9206    2.4046    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    3.7913   -1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6256    3.6810    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482    4.8301   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7480    5.7461   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431   -2.4202   -1.6863 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
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 12 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 20 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 31 37  1  0
 37 38  2  0
 37 39  1  0
 27 22  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  4 46  1  0
  5 47  1  0
  6 48  1  0
  7 49  1  0
 11 50  1  0
 12 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 15 57  1  0
 16 58  1  0
 16 59  1  0
 16 60  1  0
 19 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 23 65  1  0
 24 66  1  0
 25 67  1  0
 26 68  1  0
 27 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 39 82  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668   5.390   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       5.335   4.620   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   7.700   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   7.700   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  10.010   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.667   3.080   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0       1.334   5.390   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      -6.668   5.390   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       0.000   3.080   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0       9.336   5.390   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      10.669   3.080   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      12.003   5.390   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.670   5.390   0.000  0.00  0.00           C+0
HETATM   35  S   UNK     0      16.004   4.620   0.000  0.00  0.00           S+0
HETATM   36  C   UNK     0      17.338   5.390   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      12.003   6.930   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      10.669   7.700   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       9.336   6.930   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   29                                                  
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   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   11                                                       
CONECT   17    9   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   26                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   20   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29    5   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   32   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   78    0
END

COMPND    HMDB0252432
HETATM    1  C1  UNL     1      -7.657   2.374   1.311  1.00  0.00           C  
HETATM    2  S1  UNL     1      -7.228   3.552   0.009  1.00  0.00           S  
HETATM    3  C2  UNL     1      -5.656   4.348   0.452  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.528   3.332   0.431  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.404   2.742  -0.948  1.00  0.00           C  
HETATM    6  N1  UNL     1      -4.124   3.741  -1.950  1.00  0.00           N  
HETATM    7  C5  UNL     1      -5.019   4.046  -2.996  1.00  0.00           C  
HETATM    8  O1  UNL     1      -6.123   3.482  -3.139  1.00  0.00           O  
HETATM    9  C6  UNL     1      -3.389   1.677  -1.023  1.00  0.00           C  
HETATM   10  O2  UNL     1      -2.510   1.730  -1.948  1.00  0.00           O  
HETATM   11  N2  UNL     1      -3.308   0.578  -0.133  1.00  0.00           N  
HETATM   12  C7  UNL     1      -2.284  -0.444  -0.263  1.00  0.00           C  
HETATM   13  C8  UNL     1      -2.762  -1.804   0.123  1.00  0.00           C  
HETATM   14  C9  UNL     1      -3.930  -2.290  -0.703  1.00  0.00           C  
HETATM   15  C10 UNL     1      -3.609  -2.375  -2.159  1.00  0.00           C  
HETATM   16  C11 UNL     1      -4.273  -3.690  -0.181  1.00  0.00           C  
HETATM   17  C12 UNL     1      -1.108  -0.110   0.605  1.00  0.00           C  
HETATM   18  O3  UNL     1      -1.075   0.936   1.325  1.00  0.00           O  
HETATM   19  N3  UNL     1      -0.009  -0.978   0.623  1.00  0.00           N  
HETATM   20  C13 UNL     1       1.209  -0.775   1.406  1.00  0.00           C  
HETATM   21  C14 UNL     1       1.343  -1.777   2.502  1.00  0.00           C  
HETATM   22  C15 UNL     1       1.397  -3.185   2.085  1.00  0.00           C  
HETATM   23  C16 UNL     1       2.604  -3.849   1.984  1.00  0.00           C  
HETATM   24  C17 UNL     1       2.687  -5.173   1.563  1.00  0.00           C  
HETATM   25  C18 UNL     1       1.558  -5.880   1.230  1.00  0.00           C  
HETATM   26  C19 UNL     1       0.355  -5.213   1.334  1.00  0.00           C  
HETATM   27  C20 UNL     1       0.258  -3.904   1.748  1.00  0.00           C  
HETATM   28  C21 UNL     1       2.378  -0.651   0.548  1.00  0.00           C  
HETATM   29  O4  UNL     1       2.148  -0.698  -0.723  1.00  0.00           O  
HETATM   30  N4  UNL     1       3.719  -0.481   0.905  1.00  0.00           N  
HETATM   31  C22 UNL     1       4.761  -0.338  -0.138  1.00  0.00           C  
HETATM   32  C23 UNL     1       5.500   0.951   0.084  1.00  0.00           C  
HETATM   33  C24 UNL     1       6.532   1.171  -0.957  1.00  0.00           C  
HETATM   34  C25 UNL     1       7.277   2.494  -0.739  1.00  0.00           C  
HETATM   35  C26 UNL     1       6.390   3.691  -0.766  1.00  0.00           C  
HETATM   36  N5  UNL     1       7.172   4.905  -0.545  1.00  0.00           N  
HETATM   37  C27 UNL     1       5.650  -1.497  -0.103  1.00  0.00           C  
HETATM   38  O5  UNL     1       5.488  -2.386   0.786  1.00  0.00           O  
HETATM   39  O6  UNL     1       6.666  -1.692  -0.989  1.00  0.00           O  
HETATM   40  H1  UNL     1      -7.083   2.620   2.223  1.00  0.00           H  
HETATM   41  H2  UNL     1      -7.317   1.361   0.958  1.00  0.00           H  
HETATM   42  H3  UNL     1      -8.757   2.355   1.483  1.00  0.00           H  
HETATM   43  H4  UNL     1      -5.433   5.204  -0.238  1.00  0.00           H  
HETATM   44  H5  UNL     1      -5.786   4.795   1.458  1.00  0.00           H  
HETATM   45  H6  UNL     1      -3.603   3.813   0.791  1.00  0.00           H  
HETATM   46  H7  UNL     1      -4.813   2.553   1.174  1.00  0.00           H  
HETATM   47  H8  UNL     1      -5.419   2.288  -1.171  1.00  0.00           H  
HETATM   48  H9  UNL     1      -3.204   4.274  -1.908  1.00  0.00           H  
HETATM   49  H10 UNL     1      -4.744   4.807  -3.716  1.00  0.00           H  
HETATM   50  H11 UNL     1      -4.019   0.523   0.628  1.00  0.00           H  
HETATM   51  H12 UNL     1      -1.870  -0.391  -1.301  1.00  0.00           H  
HETATM   52  H13 UNL     1      -1.935  -2.519  -0.030  1.00  0.00           H  
HETATM   53  H14 UNL     1      -3.019  -1.766   1.199  1.00  0.00           H  
HETATM   54  H15 UNL     1      -4.826  -1.642  -0.529  1.00  0.00           H  
HETATM   55  H16 UNL     1      -3.978  -3.311  -2.626  1.00  0.00           H  
HETATM   56  H17 UNL     1      -2.497  -2.372  -2.330  1.00  0.00           H  
HETATM   57  H18 UNL     1      -4.076  -1.536  -2.746  1.00  0.00           H  
HETATM   58  H19 UNL     1      -5.158  -4.111  -0.701  1.00  0.00           H  
HETATM   59  H20 UNL     1      -3.351  -4.310  -0.356  1.00  0.00           H  
HETATM   60  H21 UNL     1      -4.471  -3.565   0.901  1.00  0.00           H  
HETATM   61  H22 UNL     1      -0.023  -1.841   0.049  1.00  0.00           H  
HETATM   62  H23 UNL     1       1.125   0.225   1.946  1.00  0.00           H  
HETATM   63  H24 UNL     1       0.589  -1.637   3.313  1.00  0.00           H  
HETATM   64  H25 UNL     1       2.326  -1.561   3.026  1.00  0.00           H  
HETATM   65  H26 UNL     1       3.490  -3.297   2.262  1.00  0.00           H  
HETATM   66  H27 UNL     1       3.649  -5.619   1.509  1.00  0.00           H  
HETATM   67  H28 UNL     1       1.664  -6.905   0.910  1.00  0.00           H  
HETATM   68  H29 UNL     1      -0.531  -5.802   1.061  1.00  0.00           H  
HETATM   69  H30 UNL     1      -0.686  -3.396   1.825  1.00  0.00           H  
HETATM   70  H31 UNL     1       4.024  -0.450   1.884  1.00  0.00           H  
HETATM   71  H32 UNL     1       4.256  -0.274  -1.140  1.00  0.00           H  
HETATM   72  H33 UNL     1       6.008   0.942   1.100  1.00  0.00           H  
HETATM   73  H34 UNL     1       4.811   1.829   0.146  1.00  0.00           H  
HETATM   74  H35 UNL     1       7.324   0.394  -0.865  1.00  0.00           H  
HETATM   75  H36 UNL     1       6.147   1.152  -1.978  1.00  0.00           H  
HETATM   76  H37 UNL     1       7.972   2.574  -1.631  1.00  0.00           H  
HETATM   77  H38 UNL     1       7.921   2.405   0.148  1.00  0.00           H  
HETATM   78  H39 UNL     1       5.933   3.791  -1.777  1.00  0.00           H  
HETATM   79  H40 UNL     1       5.626   3.681   0.040  1.00  0.00           H  
HETATM   80  H41 UNL     1       8.148   4.830  -0.846  1.00  0.00           H  
HETATM   81  H42 UNL     1       6.748   5.746  -0.991  1.00  0.00           H  
HETATM   82  H43 UNL     1       6.743  -2.420  -1.686  1.00  0.00           H  
CONECT    1    2   40   41   42
CONECT    2    3
CONECT    3    4   43   44
CONECT    4    5   45   46
CONECT    5    6    9   47
CONECT    6    7   48
CONECT    7    8    8   49
CONECT    9   10   10   11
CONECT   11   12   50
CONECT   12   13   17   51
CONECT   13   14   52   53
CONECT   14   15   16   54
CONECT   15   55   56   57
CONECT   16   58   59   60
CONECT   17   18   18   19
CONECT   19   20   61
CONECT   20   21   28   62
CONECT   21   22   63   64
CONECT   22   23   23   27
CONECT   23   24   65
CONECT   24   25   25   66
CONECT   25   26   67
CONECT   26   27   27   68
CONECT   27   69
CONECT   28   29   29   30
CONECT   30   31   70
CONECT   31   32   37   71
CONECT   32   33   72   73
CONECT   33   34   74   75
CONECT   34   35   76   77
CONECT   35   36   78   79
CONECT   36   80   81
CONECT   37   38   38   39
CONECT   39   82
END

HMDB0252432
     RDKit          3D
N-Formyl-met-leu-phe-lys
 82 82  0  0  0  0  0  0  0  0999 V2000
   -7.6574    2.3736    1.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2283    3.5524    0.0086 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6561    4.3483    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276    3.3324    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4042    2.7422   -0.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1243    3.7405   -1.9505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0192    4.0462   -2.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1232    3.4818   -3.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3895    1.6772   -1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103    1.7303   -1.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3075    0.5779   -0.1332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843   -0.4436   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7617   -1.8044    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -2.2897   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094   -2.3754   -2.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2730   -3.6895   -0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084   -0.1096    0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0748    0.9355    1.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085   -0.9777    0.6230 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088   -0.7746    1.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3431   -1.7774    2.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3974   -3.1854    2.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6036   -3.8486    1.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872   -5.1730    1.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579   -5.8802    1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -5.2125    1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2580   -3.9039    1.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778   -0.6507    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479   -0.6981   -0.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7195   -0.4811    0.9045 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7606   -0.3378   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4999    0.9512    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319    1.1706   -0.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2768    2.4944   -0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3900    3.6909   -0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    4.9051   -0.5455 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6496   -1.4971   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4882   -2.3859    0.7858 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663   -1.6924   -0.9891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0828    2.6203    2.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3171    1.3605    0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7568    2.3549    1.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4331    5.2038   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7858    4.7953    1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031    3.8133    0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8129    2.5530    1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4186    2.2879   -1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    4.2744   -1.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7436    4.8075   -3.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0190    0.5227    0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8696   -0.3909   -1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9351   -2.5192   -0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0193   -1.7659    1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8260   -1.6420   -0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9776   -3.3111   -2.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -2.3723   -2.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0761   -1.5362   -2.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -4.1106   -0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3512   -4.3102   -0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4707   -3.5653    0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231   -1.8410    0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1246    0.2255    1.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895   -1.6365    3.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3257   -1.5608    3.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4905   -3.2967    2.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6489   -5.6190    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6644   -6.9047    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5313   -5.8016    1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6856   -3.3956    1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237   -0.4502    1.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2562   -0.2741   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0085    0.9416    1.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8110    1.8286    0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3235    0.3943   -0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1469    1.1516   -1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9719    2.5738   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9206    2.4046    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    3.7913   -1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6256    3.6810    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482    4.8301   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7480    5.7461   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431   -2.4202   -1.6863 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
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 12 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 20 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 31 37  1  0
 37 38  2  0
 37 39  1  0
 27 22  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  4 46  1  0
  5 47  1  0
  6 48  1  0
  7 49  1  0
 11 50  1  0
 12 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 15 57  1  0
 16 58  1  0
 16 59  1  0
 16 60  1  0
 19 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 23 65  1  0
 24 66  1  0
 25 67  1  0
 26 68  1  0
 27 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 39 82  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-Formylmethionyl-leucyl-phenylalanyl-lysine	MeSH
F-Met-leu-phe-lys	MeSH
FMLPL	MeSH

Chemical Formula

C₂₇H₄₃N₅O₆S

Average Molecular Weight

565.73

Monoisotopic Molecular Weight

565.293405299

IUPAC Name

6-amino-2-(2-{2-[2-formamido-4-(methylsulfanyl)butanamido]-4-methylpentanamido}-3-phenylpropanamido)hexanoic acid

Traditional Name

6-amino-2-(2-{2-[2-formamido-4-(methylsulfanyl)butanamido]-4-methylpentanamido}-3-phenylpropanamido)hexanoic acid

CAS Registry Number

Not Available

SMILES

CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(O)=O

InChI Identifier

InChI=1S/C27H43N5O6S/c1-18(2)15-22(31-24(34)20(29-17-33)12-14-39-3)25(35)32-23(16-19-9-5-4-6-10-19)26(36)30-21(27(37)38)11-7-8-13-28/h4-6,9-10,17-18,20-23H,7-8,11-16,28H2,1-3H3,(H,29,33)(H,30,36)(H,31,34)(H,32,35)(H,37,38)

InChI Key

OERILMBTPCSYNG-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
Leucine or derivatives
Methionine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-formyl-alpha-amino acid
N-formyl-alpha amino acid or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Medium-chain fatty acid
Branched fatty acid
Amino fatty acid
Benzenoid
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Monocyclic benzene moiety
Carboxamide group
Amino acid or derivatives
Amino acid
Secondary carboxylic acid amide
Monocarboxylic acid or derivatives
Sulfenyl compound
Dialkylthioether
Carboxylic acid
Thioether
Organic nitrogen compound
Primary aliphatic amine
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Primary amine
Hydrocarbon derivative
Amine
Organic oxide
Organic oxygen 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)

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	-0.5	ALOGPS
logP	-1.3	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	3.66	ChemAxon
pKa (Strongest Basic)	10.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	179.72 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	150.04 m³·mol⁻¹	ChemAxon
Polarizability	61.49 Å³	ChemAxon
Number of Rings	1	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]+	224.95	30932474
DeepCCS	[M-H]-	222.554	30932474
DeepCCS	[M-2H]-	255.437	30932474
DeepCCS	[M+Na]+	230.862	30932474
AllCCS	[M+H]+	237.2	32859911
AllCCS	[M+H-H2O]+	236.3	32859911
AllCCS	[M+NH4]+	238.0	32859911
AllCCS	[M+Na]+	238.3	32859911
AllCCS	[M-H]-	214.8	32859911
AllCCS	[M+Na-2H]-	217.5	32859911
AllCCS	[M+HCOO]-	220.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-Formyl-met-leu-phe-lys	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(O)=O	4518.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(O)=O	3235.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(O)=O	4347.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-Formyl-met-leu-phe-lys,2TMS,isomer #1	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4310.4	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #1	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4057.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #1	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	6044.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4448.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4151.2	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6265.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4116.0	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4056.7	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6529.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #12	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4117.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #12	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4083.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #12	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6531.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4129.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4065.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6521.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4092.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4047.7	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6492.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #15	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4065.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #15	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4046.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #15	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6470.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #16	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4094.6	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #16	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4043.2	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #16	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6485.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	4135.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	4040.8	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	6492.7	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #3	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4077.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #3	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4013.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #3	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6446.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4104.3	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4028.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6445.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4104.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4014.3	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6468.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #6	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C	4295.8	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #6	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C	4131.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #6	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C	6162.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4247.0	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4089.3	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6109.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4275.6	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4101.4	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6118.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4298.6	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4086.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6116.0	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #1	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	4190.5	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #1	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	4111.7	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #1	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	5746.0	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #10	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3966.7	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #10	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4038.2	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #10	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6133.6	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #11	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4024.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #11	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4034.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #11	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6142.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #12	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4194.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #12	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4145.4	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #12	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5827.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4176.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4162.3	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5829.7	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #14	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4205.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #14	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4141.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #14	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5828.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #15	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C	4403.4	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #15	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C	4205.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #15	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C	5963.5	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #16	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4175.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #16	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4136.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #16	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	5766.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #17	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4155.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #17	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4128.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #17	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	5757.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #18	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4358.3	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #18	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4173.4	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #18	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5894.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #19	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4200.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #19	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4122.3	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #19	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	5771.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #2	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4150.8	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #2	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4093.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #2	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5668.0	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #20	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4373.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #20	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4176.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #20	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5903.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #21	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4386.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #21	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4155.4	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #21	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5904.6	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #22	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4063.6	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #22	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4090.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #22	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6212.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #23	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4048.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #23	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4082.4	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #23	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6198.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #24	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4054.3	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #24	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4091.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #24	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6207.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #25	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4030.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #25	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4072.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #25	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6157.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #3	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4176.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #3	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4098.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #3	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5666.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4178.8	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4077.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5693.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4379.7	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4133.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5822.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #6	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4049.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #6	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4049.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #6	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6174.7	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #7	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4013.5	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #7	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4068.8	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #7	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6169.1	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #8	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4017.4	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #8	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4052.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #8	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	6192.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #9	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4007.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #9	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4048.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,3TMS,isomer #9	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6120.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #1	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4130.6	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #1	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4147.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #1	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5421.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4319.5	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4159.2	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5487.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4015.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4101.2	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5889.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #12	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	3969.8	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #12	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4088.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #12	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5907.1	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	3983.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4097.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5909.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3973.0	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4082.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5845.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #15	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4161.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #15	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4197.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #15	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5521.6	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #16	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4145.3	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #16	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4182.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #16	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5520.5	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #17	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4382.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #17	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4233.2	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #17	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5649.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #18	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4154.0	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #18	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4187.8	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #18	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5528.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #19	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4359.0	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #19	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4244.8	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #19	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5653.6	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4106.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4160.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5416.4	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #20	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4384.0	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #20	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4218.7	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #20	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5657.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #21	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4139.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #21	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4178.3	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #21	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5432.0	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #22	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4355.0	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #22	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4227.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #22	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	5560.1	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #23	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4330.3	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #23	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4213.8	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #23	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	5558.1	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #24	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4372.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #24	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4202.3	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #24	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	5572.7	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #25	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4035.3	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #25	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4135.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #25	CSCCC(C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5932.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #3	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4107.5	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #3	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	4139.8	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #3	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C=O)[Si](C)(C)C	5440.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #4	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	4356.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #4	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	4189.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #4	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C=O)[Si](C)(C)C	5566.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #5	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4102.3	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #5	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4153.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #5	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5315.6	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #6	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4072.7	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #6	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4137.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #6	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5332.7	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4310.4	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4180.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5460.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4126.1	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4128.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5340.8	Standard polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4328.7	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4180.4	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,4TMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5461.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #1	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4776.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #1	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4348.1	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #1	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5977.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4881.8	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4403.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #10	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	6151.5	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	4619.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	4328.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #11	CSCCC(C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	6421.5	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #12	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	4633.7	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #12	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	4344.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #12	CSCCC(C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	6414.7	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	4629.6	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	4326.5	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #13	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	6414.5	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4599.6	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4318.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #14	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6356.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #15	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4577.3	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #15	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4305.6	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #15	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6341.3	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #16	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4602.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #16	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4304.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #16	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6360.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	4642.8	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	4319.2	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #2	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)N(C=O)[Si](C)(C)C(C)(C)C	6393.5	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #3	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4593.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #3	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4290.4	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #3	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6325.5	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4612.9	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4298.9	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #4	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6324.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4601.4	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4286.3	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #5	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6347.5	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #6	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C(C)(C)C	4778.0	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #6	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C(C)(C)C	4397.3	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #6	CSCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)N(C=O)[Si](C)(C)C(C)(C)C	6110.9	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4741.2	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4356.4	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #7	CSCCC(NC=O)C(=O)N(C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	6030.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4766.5	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4364.2	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #8	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	6036.2	Standard polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4767.6	Semi standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4345.0	Standard non polar	33892256
N-Formyl-met-leu-phe-lys,2TBDMS,isomer #9	CSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	6041.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Formyl-met-leu-phe-lys GC-MS (TBDMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Formyl-met-leu-phe-lys 10V, Negative-QTOF	splash10-03di-0000090000-4d80c3935ca20ae12ae4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Formyl-met-leu-phe-lys 20V, Negative-QTOF	splash10-0002-9202850000-0e3f1637acfc9bdd5f44	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Formyl-met-leu-phe-lys 40V, Negative-QTOF	splash10-0002-9411000000-addd3b2c13de93e82738	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Formyl-met-leu-phe-lys 10V, Positive-QTOF	splash10-014i-0000090000-1872a875913e3e98f331	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Formyl-met-leu-phe-lys 20V, Positive-QTOF	splash10-00kk-2104190000-2853721cc32f6faeef9d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Formyl-met-leu-phe-lys 40V, Positive-QTOF	splash10-03di-7910000000-41efbc71caa7b969bb58	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

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

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

11445575

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14631849

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 N-Formyl-met-leu-phe-lys (HMDB0252432)

MOL for HMDB0252432 (N-Formyl-met-leu-phe-lys)

3D MOL for HMDB0252432 (N-Formyl-met-leu-phe-lys)

3D SDF for HMDB0252432 (N-Formyl-met-leu-phe-lys)

3D-SDF for HMDB0252432 (N-Formyl-met-leu-phe-lys)

PDB for HMDB0252432 (N-Formyl-met-leu-phe-lys)

3D PDB for HMDB0252432 (N-Formyl-met-leu-phe-lys)

SMILES for HMDB0252432 (N-Formyl-met-leu-phe-lys)

INCHI for HMDB0252432 (N-Formyl-met-leu-phe-lys)

Structure for HMDB0252432 (N-Formyl-met-leu-phe-lys)

3D Structure for HMDB0252432 (N-Formyl-met-leu-phe-lys)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra