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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 20:26:14 UTC

Update Date

2021-09-26 23:15:51 UTC

HMDB ID

HMDB0258720

Secondary Accession Numbers

None

Metabolite Identification

Common Name

N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide

Description

N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide. This compound has been identified in human blood as reported by (PMID: 31557052 ). N-(r)-[2-(hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-l-t-butyl-alanyl-l-alanine, 2-aminoethyl amide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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


  Mrv1652309112122262D          

 29 28  0  0  0  0            999 V2000
    2.5877   -6.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679   -5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177   -4.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877   -4.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476   -3.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675   -4.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -2.9487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127   -3.1046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -3.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679   -3.1046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -4.5078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481   -4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -5.7551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983   -4.8196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384   -5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683   -6.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485   -5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186   -4.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9886   -5.9110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987   -5.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3388   -6.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490   -6.2228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977   -3.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2386   -3.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882   -2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END

HMDB0258720
     RDKit          3D
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-a...
 66 65  0  0  0  0  0  0  0  0999 V2000
   -6.7063    0.5913    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6512    1.3342    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1774    2.7715    1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2970    1.3900    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688    0.2749    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7342   -0.9265   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7957   -1.7670    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -1.7304    1.4184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5868   -2.6127   -0.6284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5594   -3.3806   -0.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0784    0.8575   -0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228    2.0620   -0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442    0.0363   -0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    0.5623   -0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    0.5033    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753   -0.0323    1.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6962    0.9744    0.0614 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305    0.8437    1.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1882    2.1902    1.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7749   -0.0410    0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7908   -0.5555   -0.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977   -0.2961    1.7422 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9253   -1.1423    1.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609   -1.2245    2.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9808   -2.0875    2.3488 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   -0.1866   -2.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325   -1.6728   -1.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.3684   -2.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -0.0708   -3.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4463    0.3180   -0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1342   -0.2528    0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6263    1.2658    0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6192    0.9338    2.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5910    3.1648    0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9969    2.7570    2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3280    3.3798    1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2981    2.0512   -0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    2.1476    1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -0.1016    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0305   -0.6430   -1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8107   -1.5584   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4293   -2.6543   -1.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4619   -3.0393   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9537   -0.9624    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636    1.6185   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855    1.4490   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204    0.3797    1.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559    2.6447    2.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1088    2.0120    2.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2761    2.8972    0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348    0.1512    2.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095   -2.1974    1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5310   -0.7814    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1861   -0.1881    2.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3159   -1.6301    3.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5058   -2.2854    3.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -3.0059    2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997   -2.2379   -2.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328   -1.8121   -0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6877   -2.0519   -2.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217    0.0822   -3.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974   -0.1261   -2.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685    1.4613   -2.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110   -0.6196   -2.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    0.9803   -3.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -0.5797   -4.0413 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
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 18 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  0
  3 34  1  0
  3 35  1  0
  3 36  1  0
  4 37  1  0
  4 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
  9 42  1  0
 10 43  1  0
 13 44  1  0
 14 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 19 49  1  0
 19 50  1  0
 22 51  1  0
 23 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 25 56  1  0
 25 57  1  0
 27 58  1  0
 27 59  1  0
 27 60  1  0
 28 61  1  0
 28 62  1  0
 28 63  1  0
 29 64  1  0
 29 65  1  0
 29 66  1  0
M  END


  Mrv1652309112122262D          

 29 28  0  0  0  0            999 V2000
    2.5877   -6.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679   -5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177   -4.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877   -4.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476   -3.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675   -4.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -2.9487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127   -3.1046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -3.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679   -3.1046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -4.5078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481   -4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -5.7551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983   -4.8196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384   -5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683   -6.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485   -5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186   -4.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9886   -5.9110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987   -5.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3388   -6.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490   -6.2228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977   -3.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2386   -3.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882   -2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258720

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)

> <INCHI_KEY>
LMIQCBIEAHJAMZ-UHFFFAOYSA-N

> <FORMULA>
C19H37N5O5

> <MOLECULAR_WEIGHT>
415.535

> <EXACT_MASS>
415.279469311

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
44.36695387180369

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[1-({1-[(2-aminoethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

> <ALOGPS_LOGP>
0.29

> <JCHEM_LOGP>
-1.3474625638972653

> <ALOGPS_LOGS>
-3.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.519584223394425

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.710502396651618

> <JCHEM_PKA_STRONGEST_BASIC>
9.351885952244336

> <JCHEM_POLAR_SURFACE_AREA>
162.65

> <JCHEM_REFRACTIVITY>
108.10609999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.43e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[1-({1-[(2-aminoethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropyl]-N'-hydroxy-2-(2-methylpropyl)succinamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0258720
     RDKit          3D
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-a...
 66 65  0  0  0  0  0  0  0  0999 V2000
   -6.7063    0.5913    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6512    1.3342    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1774    2.7715    1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2970    1.3900    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688    0.2749    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7342   -0.9265   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7957   -1.7670    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -1.7304    1.4184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5868   -2.6127   -0.6284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5594   -3.3806   -0.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0784    0.8575   -0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228    2.0620   -0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442    0.0363   -0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    0.5623   -0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    0.5033    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753   -0.0323    1.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6962    0.9744    0.0614 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305    0.8437    1.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1882    2.1902    1.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7749   -0.0410    0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7908   -0.5555   -0.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977   -0.2961    1.7422 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9253   -1.1423    1.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609   -1.2245    2.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9808   -2.0875    2.3488 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   -0.1866   -2.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325   -1.6728   -1.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.3684   -2.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -0.0708   -3.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4463    0.3180   -0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1342   -0.2528    0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6263    1.2658    0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6192    0.9338    2.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5910    3.1648    0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9969    2.7570    2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3280    3.3798    1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2981    2.0512   -0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    2.1476    1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -0.1016    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0305   -0.6430   -1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8107   -1.5584   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4293   -2.6543   -1.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4619   -3.0393   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9537   -0.9624    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636    1.6185   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855    1.4490   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204    0.3797    1.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559    2.6447    2.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1088    2.0120    2.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2761    2.8972    0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348    0.1512    2.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095   -2.1974    1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5310   -0.7814    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1861   -0.1881    2.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3159   -1.6301    3.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5058   -2.2854    3.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -3.0059    2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997   -2.2379   -2.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328   -1.8121   -0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6877   -2.0519   -2.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217    0.0822   -3.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974   -0.1261   -2.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685    1.4613   -2.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110   -0.6196   -2.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    0.9803   -3.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -0.5797   -4.0413 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  0
  3 34  1  0
  3 35  1  0
  3 36  1  0
  4 37  1  0
  4 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
  9 42  1  0
 10 43  1  0
 13 44  1  0
 14 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 19 49  1  0
 19 50  1  0
 22 51  1  0
 23 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 25 56  1  0
 25 57  1  0
 27 58  1  0
 27 59  1  0
 27 60  1  0
 28 61  1  0
 28 62  1  0
 28 63  1  0
 29 64  1  0
 29 65  1  0
 29 66  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       4.830 -11.616   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.334 -10.161   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.847  -9.870   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.326  -8.997   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.830  -7.541   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.822  -6.377   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.310  -6.668   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.806  -8.124   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       1.302  -5.504   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0      -0.210  -5.795   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.343  -7.250   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.847  -5.795   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       7.351  -8.415   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       8.863  -8.124   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.871  -9.288   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.367 -10.743   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      11.383  -8.997   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      12.392 -10.161   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.888 -11.616   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.904  -9.870   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      14.408  -8.415   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      14.912 -11.034   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      16.424 -10.743   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.432 -11.907   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      18.945 -11.616   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       9.367  -6.668   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.822  -7.172   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.912  -6.164   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.871  -5.213   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9                                                            
CONECT   11    5   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   26                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   14   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   56    0
END

COMPND    HMDB0258720
HETATM    1  C1  UNL     1      -6.706   0.591   0.378  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.651   1.334   1.110  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.177   2.771   1.334  1.00  0.00           C  
HETATM    4  C4  UNL     1      -4.297   1.390   0.577  1.00  0.00           C  
HETATM    5  C5  UNL     1      -3.369   0.275   0.409  1.00  0.00           C  
HETATM    6  C6  UNL     1      -3.734  -0.926  -0.389  1.00  0.00           C  
HETATM    7  C7  UNL     1      -4.796  -1.767   0.178  1.00  0.00           C  
HETATM    8  O1  UNL     1      -5.004  -1.730   1.418  1.00  0.00           O  
HETATM    9  N1  UNL     1      -5.587  -2.613  -0.628  1.00  0.00           N  
HETATM   10  O2  UNL     1      -6.559  -3.381  -0.095  1.00  0.00           O  
HETATM   11  C8  UNL     1      -2.078   0.858  -0.157  1.00  0.00           C  
HETATM   12  O3  UNL     1      -2.123   2.062  -0.479  1.00  0.00           O  
HETATM   13  N2  UNL     1      -0.944   0.036  -0.283  1.00  0.00           N  
HETATM   14  C9  UNL     1       0.307   0.562  -0.826  1.00  0.00           C  
HETATM   15  C10 UNL     1       1.378   0.503   0.190  1.00  0.00           C  
HETATM   16  O4  UNL     1       1.075  -0.032   1.310  1.00  0.00           O  
HETATM   17  N3  UNL     1       2.696   0.974   0.061  1.00  0.00           N  
HETATM   18  C11 UNL     1       3.630   0.844   1.147  1.00  0.00           C  
HETATM   19  C12 UNL     1       4.188   2.190   1.568  1.00  0.00           C  
HETATM   20  C13 UNL     1       4.775  -0.041   0.809  1.00  0.00           C  
HETATM   21  O5  UNL     1       4.791  -0.555  -0.354  1.00  0.00           O  
HETATM   22  N4  UNL     1       5.798  -0.296   1.742  1.00  0.00           N  
HETATM   23  C14 UNL     1       6.925  -1.142   1.470  1.00  0.00           C  
HETATM   24  C15 UNL     1       7.861  -1.225   2.672  1.00  0.00           C  
HETATM   25  N5  UNL     1       8.981  -2.087   2.349  1.00  0.00           N  
HETATM   26  C16 UNL     1       0.652  -0.187  -2.109  1.00  0.00           C  
HETATM   27  C17 UNL     1       0.833  -1.673  -1.858  1.00  0.00           C  
HETATM   28  C18 UNL     1       1.849   0.368  -2.825  1.00  0.00           C  
HETATM   29  C19 UNL     1      -0.523  -0.071  -3.094  1.00  0.00           C  
HETATM   30  H1  UNL     1      -6.446   0.318  -0.675  1.00  0.00           H  
HETATM   31  H2  UNL     1      -7.134  -0.253   0.944  1.00  0.00           H  
HETATM   32  H3  UNL     1      -7.626   1.266   0.225  1.00  0.00           H  
HETATM   33  H4  UNL     1      -5.619   0.934   2.177  1.00  0.00           H  
HETATM   34  H5  UNL     1      -6.591   3.165   0.383  1.00  0.00           H  
HETATM   35  H6  UNL     1      -6.997   2.757   2.072  1.00  0.00           H  
HETATM   36  H7  UNL     1      -5.328   3.380   1.672  1.00  0.00           H  
HETATM   37  H8  UNL     1      -4.298   2.051  -0.379  1.00  0.00           H  
HETATM   38  H9  UNL     1      -3.741   2.148   1.276  1.00  0.00           H  
HETATM   39  H10 UNL     1      -3.110  -0.102   1.462  1.00  0.00           H  
HETATM   40  H11 UNL     1      -4.031  -0.643  -1.434  1.00  0.00           H  
HETATM   41  H12 UNL     1      -2.811  -1.558  -0.456  1.00  0.00           H  
HETATM   42  H13 UNL     1      -5.429  -2.654  -1.645  1.00  0.00           H  
HETATM   43  H14 UNL     1      -7.462  -3.039  -0.295  1.00  0.00           H  
HETATM   44  H15 UNL     1      -0.954  -0.962   0.005  1.00  0.00           H  
HETATM   45  H16 UNL     1       0.164   1.618  -1.115  1.00  0.00           H  
HETATM   46  H17 UNL     1       3.085   1.449  -0.803  1.00  0.00           H  
HETATM   47  H18 UNL     1       3.120   0.380   1.997  1.00  0.00           H  
HETATM   48  H19 UNL     1       3.456   2.645   2.293  1.00  0.00           H  
HETATM   49  H20 UNL     1       5.109   2.012   2.129  1.00  0.00           H  
HETATM   50  H21 UNL     1       4.276   2.897   0.730  1.00  0.00           H  
HETATM   51  H22 UNL     1       5.735   0.151   2.680  1.00  0.00           H  
HETATM   52  H23 UNL     1       6.609  -2.197   1.264  1.00  0.00           H  
HETATM   53  H24 UNL     1       7.531  -0.781   0.606  1.00  0.00           H  
HETATM   54  H25 UNL     1       8.186  -0.188   2.902  1.00  0.00           H  
HETATM   55  H26 UNL     1       7.316  -1.630   3.546  1.00  0.00           H  
HETATM   56  H27 UNL     1       9.506  -2.285   3.243  1.00  0.00           H  
HETATM   57  H28 UNL     1       8.577  -3.006   2.041  1.00  0.00           H  
HETATM   58  H29 UNL     1      -0.100  -2.238  -2.035  1.00  0.00           H  
HETATM   59  H30 UNL     1       1.133  -1.812  -0.800  1.00  0.00           H  
HETATM   60  H31 UNL     1       1.688  -2.052  -2.481  1.00  0.00           H  
HETATM   61  H32 UNL     1       1.722   0.082  -3.915  1.00  0.00           H  
HETATM   62  H33 UNL     1       2.797  -0.126  -2.525  1.00  0.00           H  
HETATM   63  H34 UNL     1       1.868   1.461  -2.832  1.00  0.00           H  
HETATM   64  H35 UNL     1      -1.411  -0.620  -2.705  1.00  0.00           H  
HETATM   65  H36 UNL     1      -0.734   0.980  -3.348  1.00  0.00           H  
HETATM   66  H37 UNL     1      -0.248  -0.580  -4.041  1.00  0.00           H  
CONECT    1    2   30   31   32
CONECT    2    3    4   33
CONECT    3   34   35   36
CONECT    4    5   37   38
CONECT    5    6   11   39
CONECT    6    7   40   41
CONECT    7    8    8    9
CONECT    9   10   42
CONECT   10   43
CONECT   11   12   12   13
CONECT   13   14   44
CONECT   14   15   26   45
CONECT   15   16   16   17
CONECT   17   18   46
CONECT   18   19   20   47
CONECT   19   48   49   50
CONECT   20   21   21   22
CONECT   22   23   51
CONECT   23   24   52   53
CONECT   24   25   54   55
CONECT   25   56   57
CONECT   26   27   28   29
CONECT   27   58   59   60
CONECT   28   61   62   63
CONECT   29   64   65   66
END

HMDB0258720
     RDKit          3D
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-a...
 66 65  0  0  0  0  0  0  0  0999 V2000
   -6.7063    0.5913    0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6512    1.3342    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1774    2.7715    1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2970    1.3900    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688    0.2749    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7342   -0.9265   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7957   -1.7670    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -1.7304    1.4184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5868   -2.6127   -0.6284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5594   -3.3806   -0.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0784    0.8575   -0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228    2.0620   -0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442    0.0363   -0.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    0.5623   -0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    0.5033    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753   -0.0323    1.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6962    0.9744    0.0614 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305    0.8437    1.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1882    2.1902    1.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7749   -0.0410    0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7908   -0.5555   -0.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977   -0.2961    1.7422 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9253   -1.1423    1.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609   -1.2245    2.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9808   -2.0875    2.3488 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   -0.1866   -2.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325   -1.6728   -1.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.3684   -2.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -0.0708   -3.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4463    0.3180   -0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1342   -0.2528    0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6263    1.2658    0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6192    0.9338    2.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5910    3.1648    0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9969    2.7570    2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3280    3.3798    1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2981    2.0512   -0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    2.1476    1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -0.1016    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0305   -0.6430   -1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8107   -1.5584   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4293   -2.6543   -1.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4619   -3.0393   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9537   -0.9624    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636    1.6185   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855    1.4490   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204    0.3797    1.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559    2.6447    2.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1088    2.0120    2.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2761    2.8972    0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348    0.1512    2.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095   -2.1974    1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5310   -0.7814    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1861   -0.1881    2.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3159   -1.6301    3.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5058   -2.2854    3.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -3.0059    2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997   -2.2379   -2.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328   -1.8121   -0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6877   -2.0519   -2.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217    0.0822   -3.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7974   -0.1261   -2.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685    1.4613   -2.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110   -0.6196   -2.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    0.9803   -3.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -0.5797   -4.0413 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  0
  3 34  1  0
  3 35  1  0
  3 36  1  0
  4 37  1  0
  4 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
  9 42  1  0
 10 43  1  0
 13 44  1  0
 14 45  1  0
 17 46  1  0
 18 47  1  0
 19 48  1  0
 19 49  1  0
 19 50  1  0
 22 51  1  0
 23 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 25 56  1  0
 25 57  1  0
 27 58  1  0
 27 59  1  0
 27 60  1  0
 28 61  1  0
 28 62  1  0
 28 63  1  0
 29 64  1  0
 29 65  1  0
 29 66  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
N-[1-({1-[(2-aminoethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2,2-dimethylpropyl]-2-[(dihydroxycarbonimidoyl)methyl]-4-methylpentanimidate	HMDB

Chemical Formula

C₁₉H₃₇N₅O₅

Average Molecular Weight

415.535

Monoisotopic Molecular Weight

415.279469311

IUPAC Name

N-[1-({1-[(2-aminoethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

Traditional Name

N-[1-({1-[(2-aminoethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropyl]-N'-hydroxy-2-(2-methylpropyl)succinamide

CAS Registry Number

Not Available

SMILES

CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C

InChI Identifier

InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)

InChI Key

LMIQCBIEAHJAMZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Valine or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alanine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Fatty acyl
Fatty amide
N-acyl-amine
Amino acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Hydroxamic acid
Organic nitrogen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organopnictogen compound
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.29	ALOGPS
logP	-1.3	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	8.71	ChemAxon
pKa (Strongest Basic)	9.35	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	162.65 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	108.11 m³·mol⁻¹	ChemAxon
Polarizability	44.37 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	211.678	30932474
DeepCCS	[M-H]-	209.077	30932474
DeepCCS	[M-2H]-	243.612	30932474
DeepCCS	[M+Na]+	218.839	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	3637.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	2765.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	3161.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #1	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C	3271.9	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #1	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C	3091.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #1	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C	4861.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	3156.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	2986.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	5167.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C	3108.1	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C	2935.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C	5109.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C	3142.1	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C	2989.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C	5065.5	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C	3137.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C	3070.6	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C	4994.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C	3235.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C	3097.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C	4566.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3041.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3052.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4630.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #11	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3068.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #11	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3087.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #11	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4613.5	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #2	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3189.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #2	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3062.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #2	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4376.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3202.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3113.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4330.2	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3211.8	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3175.5	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4408.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3385.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3223.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4506.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C	3067.4	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C	3006.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C	4805.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #7	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C	3103.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #7	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C	3042.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #7	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C	4784.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #8	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C	3082.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #8	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C	3088.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #8	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C	4737.9	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3071.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3016.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4692.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3144.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3122.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4203.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3367.1	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3269.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4158.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3060.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3098.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4494.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #12	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3022.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #12	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3119.6	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #12	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4456.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #13	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3052.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #13	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3140.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #13	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4450.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #14	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3036.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #14	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3118.2	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #14	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4324.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3164.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3153.9	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4175.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3166.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3198.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4240.2	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3357.9	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3234.9	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4336.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3153.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3134.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3963.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #6	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3135.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #6	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3176.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #6	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4022.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3329.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3205.5	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4128.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3150.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3211.2	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3995.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3360.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3260.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4101.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3132.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3216.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3906.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3331.8	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3318.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3822.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3046.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3211.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4224.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3107.9	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3248.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3953.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3303.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3265.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	4045.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3136.9	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3266.6	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3930.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #5	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3333.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #5	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3299.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #5	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4026.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3311.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3303.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	4069.2	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3120.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3254.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3696.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3322.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3284.5	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3797.5	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3311.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3286.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3836.2	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3114.1	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3345.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3717.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3317.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3364.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3803.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3295.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3360.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3832.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3312.4	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3382.2	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C	3822.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3340.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3374.9	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,5TMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3556.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,6TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3335.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,6TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3467.2	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,6TMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C	3626.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #1	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C	3502.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #1	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C	3281.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #1	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C	4715.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	3391.8	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	3167.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C	5037.5	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C(C)(C)C	3381.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C(C)(C)C	3122.5	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C(C)(C)C	4982.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	3406.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	3167.5	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	4933.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	3403.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	3233.2	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,1TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	4887.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C	3705.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C	3431.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C	4465.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3364.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4543.9	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #11	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3593.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #11	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3395.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #11	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4535.0	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #2	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3709.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #2	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3401.9	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #2	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4304.5	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3720.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3445.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #3	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4267.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3727.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3487.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #4	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4338.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3849.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3521.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4424.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C(C)(C)C	3334.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN)C(C)(C)C)[Si](C)(C)C(C)(C)C	4685.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #7	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	3608.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #7	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	3365.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #7	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	4665.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #8	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	3589.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #8	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	3388.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #8	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C	4648.5	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.1	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3345.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,2TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4571.2	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3868.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3596.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4226.0	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4044.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3715.6	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4187.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3818.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3576.2	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4446.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #12	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3774.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #12	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3574.9	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #12	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4444.0	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #13	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3751.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #13	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3599.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #13	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4439.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #14	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3801.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #14	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3596.6	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #14	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4337.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3886.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3624.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4205.2	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3874.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3650.1	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4260.0	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4008.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3685.9	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4318.0	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3907.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3618.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #5	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4050.7	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #6	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3909.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #6	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3636.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #6	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4092.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4047.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3665.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4148.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3888.6	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3671.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4084.0	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4063.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3708.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,3TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4132.5	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4048.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3828.2	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #1	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4064.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4229.7	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3914.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #10	CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3970.1	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3965.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3815.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #11	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4336.8	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4029.2	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3836.0	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #2	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4095.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4200.5	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3858.3	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #3	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4138.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4013.0	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3861.9	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #4	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4092.0	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #5	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4211.9	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #5	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3890.4	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #5	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4128.2	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4192.4	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	3887.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #6	CC(C)CC(CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C	4172.6	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4055.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3864.8	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #7	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)N(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3911.3	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4245.1	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3890.2	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #8	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)N(C(C)C(=O)NCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3944.4	Standard polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4237.3	Semi standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3878.7	Standard non polar	33892256
N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide,4TBDMS,isomer #9	CC(C)CC(CC(=O)NO)C(=O)N(C(C(=O)NC(C)C(=O)N(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3972.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide GC-MS (Non-derivatized) - 70eV, Positive	splash10-053u-9414000000-ee72bc936b639b6f4f84	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

1559

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1620

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide (HMDB0258720)

MOL for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

3D MOL for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

3D SDF for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

3D-SDF for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

PDB for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

3D PDB for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

SMILES for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

INCHI for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

Structure for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

3D Structure for HMDB0258720 (N-(R)-[2-(Hydroxyaminocarbonyl)methyl]-4-methylpentanoyl-L-t-butyl-alanyl-L-alanine, 2-aminoethyl Amide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra