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Showing metabocard for Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid (HMDB0252831)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 10:55:22 UTC
Update Date2021-09-26 23:05:41 UTC
HMDB IDHMDB0252831
Secondary Accession NumbersNone
Metabolite Identification
Common NameGlycyl-prolyl-arginyl-valyl-valyl-glutamic acid
DescriptionGlycyl-prolyl-arginyl-valyl-valyl-glutamic acid belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0252831 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)


  Mrv1652309112112552D          

 46 46  0  0  0  0            999 V2000
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M  END
Download

3D MOL for HMDB0252831 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

HMDB0252831
     RDKit          3D
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid
 95 95  0  0  0  0  0  0  0  0999 V2000
    0.6138   -1.2442    2.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for HMDB0252831 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)


  Mrv1652309112112552D          

 46 46  0  0  0  0            999 V2000
    4.3759   -6.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8358   -7.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -7.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1059   -8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5658   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8358   -9.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556   -8.6358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155   -9.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856  -10.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455  -10.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957  -10.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054   -9.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354   -8.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8653   -9.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -9.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849  -10.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950  -10.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351  -10.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453  -10.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651  -11.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -8.6358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3252   -8.1680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9160   -8.3239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4561   -7.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1860   -6.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2662   -7.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5363   -8.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962   -9.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2662  -10.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7261  -10.6626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962  -11.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4561  -12.0658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8063  -11.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8063   -7.2326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164   -7.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8865   -8.1680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1565   -6.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694   -5.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6758   -5.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2995   -6.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9785   -6.8352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4047   -7.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2296   -7.5256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0061   -8.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4323   -8.9703    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  4 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252831

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(C)C)C(=O)NC(CCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H49N9O9/c1-14(2)21(25(43)34-17(27(45)46)9-10-20(39)40)36-26(44)22(15(3)4)35-23(41)16(7-5-11-32-28(30)31)33-24(42)18-8-6-12-37(18)19(38)13-29/h14-18,21-22H,5-13,29H2,1-4H3,(H,33,42)(H,34,43)(H,35,41)(H,36,44)(H,39,40)(H,45,46)(H4,30,31,32)

> <INCHI_KEY>
DSVOSLJAGTUKFB-UHFFFAOYSA-N

> <FORMULA>
C28H49N9O9

> <MOLECULAR_WEIGHT>
655.754

> <EXACT_MASS>
655.365324194

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
67.41302790340765

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{2-[2-(2-{[1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanamido)-3-methylbutanamido]-3-methylbutanamido}pentanedioic acid

> <ALOGPS_LOGP>
-2.16

> <JCHEM_LOGP>
-7.006904239923095

> <ALOGPS_LOGS>
-3.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.901512300622838

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0993001663581903

> <JCHEM_PKA_STRONGEST_BASIC>
10.770203862118816

> <JCHEM_POLAR_SURFACE_AREA>
301.72999999999996

> <JCHEM_REFRACTIVITY>
162.0941

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.01e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{2-[2-(2-{[1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanamido)-3-methylbutanamido]-3-methylbutanamido}pentanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0252831 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

HMDB0252831
     RDKit          3D
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid
 95 95  0  0  0  0  0  0  0  0999 V2000
    0.6138   -1.2442    2.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790   -1.8744    0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5555   -2.9857    0.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219   -0.8250   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1628   -0.2379    0.3665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2518   -0.4236   -0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9915   -1.1089   -1.5806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307    0.0192   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9337    1.1030    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771    2.4469    0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393    2.6750    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7836    4.1220   -0.2321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    4.9756    0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    6.3316    0.2669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1737    4.5446    1.9737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6350   -0.9867   -0.6434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2974   -1.1908   -1.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9681   -0.4126   -2.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3185   -2.2021   -2.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6061   -1.6889   -2.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6651   -2.3390   -1.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8738   -2.3386   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6497   -2.9502   -0.8894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8386   -3.9894   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7800   -4.3033   -1.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0891   -4.7809    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2659   -4.4112    1.5278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    0.1691   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124    1.3591    0.2548 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5148   -0.1766   -0.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6178    0.7501   -0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7648    0.2201    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -0.8749    0.7728 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9901    0.9204    0.1340 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1584    0.4388    0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8951    1.6116    1.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1327    1.3226    2.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7220    2.6247    2.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1612    3.6921    2.2906 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815    2.6523    3.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0026   -0.3800   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6381   -0.5209   -1.3031 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1624   -0.9754    0.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    1.0596   -2.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4139   -0.2224   -2.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945    1.7264   -2.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -1.5337    2.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -0.1392    2.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5047   -1.6339    2.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4634   -2.3205    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -3.9092    1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3826   -2.7481    1.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8868   -3.1514   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0185   -1.3247   -1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842    0.2437    1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    0.5992   -1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0644    1.2416    0.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6046    0.8627    1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8417    2.8207   -0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621    3.1738    1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3433    2.5107    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881    2.1766   -0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1164    6.9387    0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099    6.7006    0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385    4.4927    2.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2317    4.2535    2.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8615   -1.6057    0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9277   -2.9441   -2.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7660   -1.9866   -3.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6854   -0.6096   -2.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8239   -3.3909   -2.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5765   -1.7512   -1.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7389   -1.2714   -0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4243   -2.8105    0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2053   -4.6747    1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1817   -5.8520    0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8201   -5.2227    1.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1791   -3.6388    2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724   -1.1667   -0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2898    1.6982   -0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0740    1.8110   -0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -0.2876    1.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2221    2.2615    0.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2036    2.2353    1.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8860    0.7575    1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8191    0.7424    3.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7911    2.8933    2.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1716   -1.7104    1.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8695    1.7867   -2.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5036   -1.0374   -1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -0.0988   -3.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509   -0.4689   -3.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    2.4036   -3.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    2.3534   -2.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2151    1.0100   -3.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 13 15  1  0
  8 16  1  0
 16 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  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
  4 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 38 40  1  0
 35 41  1  0
 41 42  2  0
 41 43  1  0
 31 44  1  0
 44 45  1  0
 44 46  1  0
 23 19  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  2 50  1  0
  3 51  1  0
  3 52  1  0
  3 53  1  0
  4 54  1  0
  5 55  1  0
  8 56  1  0
  9 57  1  0
  9 58  1  0
 10 59  1  0
 10 60  1  0
 11 61  1  0
 11 62  1  0
 14 63  1  0
 14 64  1  0
 15 65  1  0
 15 66  1  0
 16 67  1  0
 19 68  1  0
 20 69  1  0
 20 70  1  0
 21 71  1  0
 21 72  1  0
 22 73  1  0
 22 74  1  0
 26 75  1  0
 26 76  1  0
 27 77  1  0
 27 78  1  0
 30 79  1  0
 31 80  1  0
 34 81  1  0
 35 82  1  0
 36 83  1  0
 36 84  1  0
 37 85  1  0
 37 86  1  0
 40 87  1  0
 43 88  1  0
 44 89  1  0
 45 90  1  0
 45 91  1  0
 45 92  1  0
 46 93  1  0
 46 94  1  0
 46 95  1  0
M  END
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PDB for HMDB0252831 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

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       8.168 -12.628   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.160 -13.792   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.648 -13.501   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.664 -15.247   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.656 -16.411   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.160 -17.866   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0       5.144 -16.120   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       4.136 -17.284   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.640 -18.739   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.632 -19.904   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.152 -19.030   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.623 -16.993   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.119 -15.538   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       1.615 -18.157   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       0.103 -17.866   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.905 -19.030   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.417 -18.739   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.426 -19.904   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.938 -19.612   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -2.921 -21.359   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.401 -16.411   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.913 -16.120   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.607 -15.247   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0       9.177 -15.538   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      10.185 -14.374   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.681 -12.919   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      11.697 -14.665   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.201 -16.120   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.193 -17.284   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.697 -18.739   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      10.689 -19.904   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      11.193 -21.359   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0      10.185 -22.523   0.000  0.00  0.00           N+0
HETATM   34  N   UNK     0      12.705 -21.650   0.000  0.00  0.00           N+0
HETATM   35  N   UNK     0      12.705 -13.501   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      14.217 -13.792   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      14.721 -15.247   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      15.226 -12.628   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.876 -11.128   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      16.195 -10.332   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      17.359 -11.340   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0      16.760 -12.759   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0      17.556 -14.078   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      19.095 -14.048   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      16.811 -15.426   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0      17.607 -16.744   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   24                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    8   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   15   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24    4   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   35                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   27   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   42                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   38   43                                                  
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46                                                       
CONECT   46   45                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   92    0
END
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3D PDB for HMDB0252831 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

COMPND    HMDB0252831
HETATM    1  C1  UNL     1       0.614  -1.244   2.329  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.479  -1.874   0.969  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.555  -2.986   0.961  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.122  -0.825  -0.055  1.00  0.00           C  
HETATM    5  N1  UNL     1      -1.163  -0.238   0.366  1.00  0.00           N  
HETATM    6  C5  UNL     1      -2.252  -0.424  -0.508  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.991  -1.109  -1.581  1.00  0.00           O  
HETATM    8  C6  UNL     1      -3.631   0.019  -0.403  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.934   1.103   0.525  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.377   2.447   0.214  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.939   2.675   0.098  1.00  0.00           C  
HETATM   12  N2  UNL     1      -1.784   4.122  -0.232  1.00  0.00           N  
HETATM   13  C10 UNL     1      -1.427   4.976   0.653  1.00  0.00           C  
HETATM   14  N3  UNL     1      -1.299   6.332   0.267  1.00  0.00           N  
HETATM   15  N4  UNL     1      -1.174   4.545   1.974  1.00  0.00           N  
HETATM   16  N5  UNL     1      -4.635  -0.987  -0.643  1.00  0.00           N  
HETATM   17  C11 UNL     1      -5.297  -1.191  -1.857  1.00  0.00           C  
HETATM   18  O2  UNL     1      -4.968  -0.413  -2.819  1.00  0.00           O  
HETATM   19  C12 UNL     1      -6.319  -2.202  -2.120  1.00  0.00           C  
HETATM   20  C13 UNL     1      -7.606  -1.689  -2.685  1.00  0.00           C  
HETATM   21  C14 UNL     1      -8.665  -2.339  -1.784  1.00  0.00           C  
HETATM   22  C15 UNL     1      -7.874  -2.339  -0.462  1.00  0.00           C  
HETATM   23  N6  UNL     1      -6.650  -2.950  -0.889  1.00  0.00           N  
HETATM   24  C16 UNL     1      -5.839  -3.989  -0.397  1.00  0.00           C  
HETATM   25  O3  UNL     1      -4.780  -4.303  -1.038  1.00  0.00           O  
HETATM   26  C17 UNL     1      -6.089  -4.781   0.823  1.00  0.00           C  
HETATM   27  N7  UNL     1      -7.266  -4.411   1.528  1.00  0.00           N  
HETATM   28  C18 UNL     1       1.210   0.169  -0.101  1.00  0.00           C  
HETATM   29  O4  UNL     1       1.012   1.359   0.255  1.00  0.00           O  
HETATM   30  N8  UNL     1       2.515  -0.177  -0.549  1.00  0.00           N  
HETATM   31  C19 UNL     1       3.618   0.750  -0.619  1.00  0.00           C  
HETATM   32  C20 UNL     1       4.765   0.220   0.122  1.00  0.00           C  
HETATM   33  O5  UNL     1       4.707  -0.875   0.773  1.00  0.00           O  
HETATM   34  N9  UNL     1       5.990   0.920   0.134  1.00  0.00           N  
HETATM   35  C21 UNL     1       7.158   0.439   0.858  1.00  0.00           C  
HETATM   36  C22 UNL     1       7.895   1.612   1.381  1.00  0.00           C  
HETATM   37  C23 UNL     1       9.133   1.323   2.167  1.00  0.00           C  
HETATM   38  C24 UNL     1       9.722   2.625   2.604  1.00  0.00           C  
HETATM   39  O6  UNL     1       9.161   3.692   2.291  1.00  0.00           O  
HETATM   40  O7  UNL     1      10.882   2.652   3.351  1.00  0.00           O  
HETATM   41  C25 UNL     1       8.003  -0.380  -0.104  1.00  0.00           C  
HETATM   42  O8  UNL     1       7.638  -0.521  -1.303  1.00  0.00           O  
HETATM   43  O9  UNL     1       9.162  -0.975   0.308  1.00  0.00           O  
HETATM   44  C26 UNL     1       4.018   1.060  -2.044  1.00  0.00           C  
HETATM   45  C27 UNL     1       4.414  -0.222  -2.713  1.00  0.00           C  
HETATM   46  C28 UNL     1       2.894   1.726  -2.807  1.00  0.00           C  
HETATM   47  H1  UNL     1      -0.273  -1.534   2.926  1.00  0.00           H  
HETATM   48  H2  UNL     1       0.676  -0.139   2.280  1.00  0.00           H  
HETATM   49  H3  UNL     1       1.505  -1.634   2.892  1.00  0.00           H  
HETATM   50  H4  UNL     1       1.463  -2.320   0.722  1.00  0.00           H  
HETATM   51  H5  UNL     1      -0.058  -3.909   1.297  1.00  0.00           H  
HETATM   52  H6  UNL     1      -1.383  -2.748   1.662  1.00  0.00           H  
HETATM   53  H7  UNL     1      -0.887  -3.151  -0.081  1.00  0.00           H  
HETATM   54  H8  UNL     1       0.018  -1.325  -1.047  1.00  0.00           H  
HETATM   55  H9  UNL     1      -1.184   0.244   1.287  1.00  0.00           H  
HETATM   56  H10 UNL     1      -3.724   0.599  -1.490  1.00  0.00           H  
HETATM   57  H11 UNL     1      -5.064   1.242   0.660  1.00  0.00           H  
HETATM   58  H12 UNL     1      -3.605   0.863   1.598  1.00  0.00           H  
HETATM   59  H13 UNL     1      -3.842   2.821  -0.771  1.00  0.00           H  
HETATM   60  H14 UNL     1      -3.762   3.174   1.017  1.00  0.00           H  
HETATM   61  H15 UNL     1      -1.343   2.511   1.000  1.00  0.00           H  
HETATM   62  H16 UNL     1      -1.488   2.177  -0.798  1.00  0.00           H  
HETATM   63  H17 UNL     1      -2.116   6.939   0.075  1.00  0.00           H  
HETATM   64  H18 UNL     1      -0.310   6.701   0.183  1.00  0.00           H  
HETATM   65  H19 UNL     1      -1.939   4.493   2.706  1.00  0.00           H  
HETATM   66  H20 UNL     1      -0.232   4.253   2.316  1.00  0.00           H  
HETATM   67  H21 UNL     1      -4.861  -1.606   0.188  1.00  0.00           H  
HETATM   68  H22 UNL     1      -5.928  -2.944  -2.868  1.00  0.00           H  
HETATM   69  H23 UNL     1      -7.766  -1.987  -3.754  1.00  0.00           H  
HETATM   70  H24 UNL     1      -7.685  -0.610  -2.525  1.00  0.00           H  
HETATM   71  H25 UNL     1      -8.824  -3.391  -2.123  1.00  0.00           H  
HETATM   72  H26 UNL     1      -9.577  -1.751  -1.731  1.00  0.00           H  
HETATM   73  H27 UNL     1      -7.739  -1.271  -0.182  1.00  0.00           H  
HETATM   74  H28 UNL     1      -8.424  -2.810   0.334  1.00  0.00           H  
HETATM   75  H29 UNL     1      -5.205  -4.675   1.492  1.00  0.00           H  
HETATM   76  H30 UNL     1      -6.182  -5.852   0.533  1.00  0.00           H  
HETATM   77  H31 UNL     1      -7.820  -5.223   1.888  1.00  0.00           H  
HETATM   78  H32 UNL     1      -7.179  -3.639   2.208  1.00  0.00           H  
HETATM   79  H33 UNL     1       2.672  -1.167  -0.844  1.00  0.00           H  
HETATM   80  H34 UNL     1       3.290   1.698  -0.125  1.00  0.00           H  
HETATM   81  H35 UNL     1       6.074   1.811  -0.382  1.00  0.00           H  
HETATM   82  H36 UNL     1       6.874  -0.288   1.641  1.00  0.00           H  
HETATM   83  H37 UNL     1       8.222   2.262   0.509  1.00  0.00           H  
HETATM   84  H38 UNL     1       7.204   2.235   1.983  1.00  0.00           H  
HETATM   85  H39 UNL     1       9.886   0.757   1.621  1.00  0.00           H  
HETATM   86  H40 UNL     1       8.819   0.742   3.081  1.00  0.00           H  
HETATM   87  H41 UNL     1      11.791   2.893   2.964  1.00  0.00           H  
HETATM   88  H42 UNL     1       9.172  -1.710   1.003  1.00  0.00           H  
HETATM   89  H43 UNL     1       4.869   1.787  -2.065  1.00  0.00           H  
HETATM   90  H44 UNL     1       4.504  -1.037  -1.978  1.00  0.00           H  
HETATM   91  H45 UNL     1       5.366  -0.099  -3.303  1.00  0.00           H  
HETATM   92  H46 UNL     1       3.651  -0.469  -3.492  1.00  0.00           H  
HETATM   93  H47 UNL     1       3.271   2.404  -3.619  1.00  0.00           H  
HETATM   94  H48 UNL     1       2.259   2.353  -2.125  1.00  0.00           H  
HETATM   95  H49 UNL     1       2.215   1.010  -3.301  1.00  0.00           H  
CONECT    1    2   47   48   49
CONECT    2    3    4   50
CONECT    3   51   52   53
CONECT    4    5   28   54
CONECT    5    6   55
CONECT    6    7    7    8
CONECT    8    9   16   56
CONECT    9   10   57   58
CONECT   10   11   59   60
CONECT   11   12   61   62
CONECT   12   13   13
CONECT   13   14   15
CONECT   14   63   64
CONECT   15   65   66
CONECT   16   17   67
CONECT   17   18   18   19
CONECT   19   20   23   68
CONECT   20   21   69   70
CONECT   21   22   71   72
CONECT   22   23   73   74
CONECT   23   24
CONECT   24   25   25   26
CONECT   26   27   75   76
CONECT   27   77   78
CONECT   28   29   29   30
CONECT   30   31   79
CONECT   31   32   44   80
CONECT   32   33   33   34
CONECT   34   35   81
CONECT   35   36   41   82
CONECT   36   37   83   84
CONECT   37   38   85   86
CONECT   38   39   39   40
CONECT   40   87
CONECT   41   42   42   43
CONECT   43   88
CONECT   44   45   46   89
CONECT   45   90   91   92
CONECT   46   93   94   95
END
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SMILES for HMDB0252831 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(C)C)C(=O)NC(CCC(O)=O)C(O)=O
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INCHI for HMDB0252831 (Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid)

InChI=1S/C28H49N9O9/c1-14(2)21(25(43)34-17(27(45)46)9-10-20(39)40)36-26(44)22(15(3)4)35-23(41)16(7-5-11-32-28(30)31)33-24(42)18-8-6-12-37(18)19(38)13-29/h14-18,21-22H,5-13,29H2,1-4H3,(H,33,42)(H,34,43)(H,35,41)(H,36,44)(H,39,40)(H,45,46)(H4,30,31,32)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Glycyl-prolyl-arginyl-valyl-valyl-glutamateGenerator
Chemical FormulaC28H49N9O9
Average Molecular Weight655.754
Monoisotopic Molecular Weight655.365324194
IUPAC Name2-{2-[2-(2-{[1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanamido)-3-methylbutanamido]-3-methylbutanamido}pentanedioic acid
Traditional Name2-{2-[2-(2-{[1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanamido)-3-methylbutanamido]-3-methylbutanamido}pentanedioic acid
CAS Registry NumberNot Available
SMILES
CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(C)C)C(=O)NC(CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C28H49N9O9/c1-14(2)21(25(43)34-17(27(45)46)9-10-20(39)40)36-26(44)22(15(3)4)35-23(41)16(7-5-11-32-28(30)31)33-24(42)18-8-6-12-37(18)19(38)13-29/h14-18,21-22H,5-13,29H2,1-4H3,(H,33,42)(H,34,43)(H,35,41)(H,36,44)(H,39,40)(H,45,46)(H4,30,31,32)
InChI KeyDSVOSLJAGTUKFB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Glutamic acid or derivatives
  • Valine or derivatives
  • Proline or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • N-acylpyrrolidine
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Branched fatty acid
  • Heterocyclic fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Guanidine
  • Carboximidamide
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboxylic acid
  • Organoheterocyclic compound
  • Azacycle
  • Amine
  • Organonitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxygen compound
  • Primary amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.2ALOGPS
logP-7ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)3.1ChemAxon
pKa (Strongest Basic)10.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area301.73 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity162.09 m³·mol⁻¹ChemAxon
Polarizability67.41 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+242.73630932474
DeepCCS[M-H]-240.41330932474
DeepCCS[M-2H]-273.65430932474
DeepCCS[M+Na]+248.64930932474
AllCCS[M+H]+248.132859911
AllCCS[M+H-H2O]+247.732859911
AllCCS[M+NH4]+248.432859911
AllCCS[M+Na]+248.432859911
AllCCS[M-H]-244.032859911
AllCCS[M+Na-2H]-247.332859911
AllCCS[M+HCOO]-251.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acidCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(C)C)C(=O)NC(CCC(O)=O)C(O)=O4867.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acidCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(C)C)C(=O)NC(CCC(O)=O)C(O)=O3740.6Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acidCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(C)C)C(=O)NC(CCC(O)=O)C(O)=O5439.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #1CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C5128.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #1CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C4582.3Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #1CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C9702.9Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #10CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C5198.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #10CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C4678.3Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #10CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C9675.9Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #11CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O5109.7Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #11CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O4609.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #11CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O9686.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #12CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C5155.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #12CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C4604.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #12CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C9670.9Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #13CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C5180.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #13CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C4605.1Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #13CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C9662.1Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #14CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O5065.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #14CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O4649.4Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #14CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O9637.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #15CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O5028.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #15CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O4653.3Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #15CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O9617.2Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #16CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C5232.9Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #16CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C4737.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #16CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C9719.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #17CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C5067.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #17CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C4647.3Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #17CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C9637.4Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #18CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C5100.4Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #18CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C4646.7Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #18CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C9628.6Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #19CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C4943.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #19CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C4596.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #19CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C9855.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #2CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C5062.2Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #2CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C4629.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #2CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C9655.1Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #20CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O4924.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #20CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O4583.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #20CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O9874.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #21CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C4974.4Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #21CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C4585.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #21CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C9843.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #22CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C4925.5Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #22CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C4581.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #22CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C)[Si](C)(C)C9867.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #23CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C4946.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #23CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C4578.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #23CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C9861.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #24CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C4964.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #24CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C4587.8Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #24CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C9845.9Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #25CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C5324.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #25CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C4528.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #25CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C9192.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #26CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C5295.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #26CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C4645.4Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #26CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C9399.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #27CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C5141.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #27CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C4584.7Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #27CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C9606.4Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #28CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C5196.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #28CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C4648.3Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #28CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C9612.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #29CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C5092.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #29CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C4578.0Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #29CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C9621.4Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #3CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4940.5Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #3CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4566.0Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #3CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C9871.6Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #30CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C5144.5Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #30CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C4580.1Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #30CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C9599.1Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #31CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C5187.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #31CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C4581.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #31CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C9625.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #32CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C5068.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #32CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C4621.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #32CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C9571.6Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #33CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C5024.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #33CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C4619.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #33CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C9550.8Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #34CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C5244.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #34CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C4703.8Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #34CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C9654.0Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #35CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C5069.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #35CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C4621.1Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #35CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C9564.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #36CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C5110.3Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #36CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C4620.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #36CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C9591.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #37CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C4940.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #37CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C4576.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #37CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C9795.4Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #38CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C4917.3Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #38CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C4553.6Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #38CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C9818.4Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #39CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C4977.2Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #39CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C4562.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #39CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C9812.6Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #4CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4893.8Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #4CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4562.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #4CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C9888.9Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #40CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C4919.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #40CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C4557.7Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #40CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C9807.2Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #41CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C4947.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #41CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C4553.0Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #41CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C9830.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #42CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C4969.7Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #42CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C4563.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #42CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C9811.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #43CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C5535.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #43CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C4636.7Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #43CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C9089.8Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #44CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O5346.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #44CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O4560.8Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #44CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O9174.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #45CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C5389.4Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #45CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C4694.1Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #45CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C9039.6Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #46CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O5317.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #46CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O4559.7Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #46CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O9187.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #47CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C5356.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #47CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C4552.6Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #47CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C9176.1Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #48CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C5392.4Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #48CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C4556.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #48CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C9170.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #49CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O5298.3Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #49CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O4674.1Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #49CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O9388.2Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #5CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C4939.9Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #5CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C4563.4Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #5CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C9866.9Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #50CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C5345.4Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #50CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C4759.1Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #50CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C9369.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #51CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O5272.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #51CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O4673.8Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #51CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O9352.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #52CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C5495.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #52CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C4761.6Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #52CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C9475.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #53CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C5307.9Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #53CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C4671.6Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #53CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C9389.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #54CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C5355.7Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #54CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C4669.6Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #54CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C9384.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #55CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C5154.7Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #55CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C4620.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #55CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C9588.0Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #56CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O5205.3Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #56CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O4692.6Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #56CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O9601.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #57CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O5144.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #57CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O4607.3Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #57CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O9604.6Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #58CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C5197.2Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #58CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C4609.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #58CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C9577.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #59CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O5170.9Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #59CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O4693.7Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #59CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O9615.0Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #6CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C4967.2Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #6CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C4564.8Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #6CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C9886.7Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #60CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C5205.6Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #60CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C4682.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #60CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C9601.2Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #61CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C5243.1Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #61CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C4680.3Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #61CC(C)C(NC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C9595.4Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #62CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C5146.8Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #62CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C4607.7Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #62CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C9597.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #63CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C5175.9Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #63CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C4601.0Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #63CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C9595.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #64CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C5196.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #64CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C4605.1Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #64CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C9580.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #65CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C5054.2Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #65CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C4655.0Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #65CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C9564.1Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #66CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O5040.8Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #66CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O4640.3Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #66CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O9545.1Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #67CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O5250.8Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #67CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O4731.9Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #67CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O9643.2Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #68CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C5107.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #68CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C4642.0Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #68CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C9553.9Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #69CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C5045.8Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #69CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C4643.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #69CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C9538.0Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #7CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C5334.7Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #7CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C4560.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #7CC(C)C(NC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C9268.1Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #70CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O5229.5Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #70CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O4729.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #70CC(C)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)O9619.1Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #71CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C5085.8Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #71CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C4635.7Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #71CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C9536.2Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #72CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C5256.3Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #72CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C4728.5Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #72CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C9642.9Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #73CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C5302.5Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #73CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C4724.2Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #73CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C9638.0Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #74CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C5102.2Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #74CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C4644.6Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #74CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C9556.8Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #75CC(C)C(C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C5000.9Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #75CC(C)C(C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C4601.0Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #75CC(C)C(C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C9782.4Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #76CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C4936.5Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #76CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C4590.4Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #76CC(C)C(C(=O)N(C(C(=O)NC(CCC(=O)O)C(=O)O)C(C)C)[Si](C)(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C9807.3Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #77CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C4978.5Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #77CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C4573.1Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #77CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C9801.6Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #78CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C4972.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #78CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C4583.0Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #78CC(C)C(NC(=O)C(CCCN=C(N)N)N(C(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CCC(=O)O)C(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C9797.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #8CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C5306.8Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #8CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C4679.4Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #8CC(C)C(NC(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN[Si](C)(C)C)C(=O)NC(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O)C(C)C9473.5Standard polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #9CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O5152.0Semi standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #9CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O4611.4Standard non polar33892256
Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid,3TMS,isomer #9CC(C)C(NC(=O)C(C(C)C)N(C(=O)C(CCCN=C(N)N[Si](C)(C)C)NC(=O)C1CCCN1C(=O)CN)[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)O9671.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid 10V, Positive-QTOFsplash10-001i-0349202000-03507472cf4615e90a752021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid 20V, Positive-QTOFsplash10-0fj0-5974304000-a937713caba3c8042f372021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid 40V, Positive-QTOFsplash10-00di-9341300000-e0b2c1256bc16df8c75d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid 10V, Negative-QTOFsplash10-0udi-1004129000-039572d7485b5de3dd8f2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid 20V, Negative-QTOFsplash10-0fai-1203290000-739f9da8699c4d9982a92021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-prolyl-arginyl-valyl-valyl-glutamic acid 40V, Negative-QTOFsplash10-0udl-4921110000-fdeb7b998389ad3ea2fa2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID11227406
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound22219020
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]