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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 13:30:20 UTC

Update Date

2021-09-26 23:08:11 UTC

HMDB ID

HMDB0254290

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Macimorelin

Description

Macimorelin 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 a significant number of articles have been published on Macimorelin. This compound has been identified in human blood as reported by (PMID: 31557052 ). Macimorelin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Macimorelin 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


  Mrv1652309112115302D          

 35 38  0  0  0  0            999 V2000
    5.7065   -5.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -4.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4046   -4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315   -4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3565   -4.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -3.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315   -2.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -1.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940   -1.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091   -2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   -2.2892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   -1.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114   -0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5829   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3676    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9807   -0.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091   -1.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3565   -2.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690   -1.8767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690   -3.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940   -3.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0065   -4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8315   -4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3165   -3.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1011   -3.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1011   -4.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7580   -6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1449   -5.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3165   -4.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0065   -2.5912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940   -1.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0065   -1.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -5.1471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  2  0  0  0  0
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  6  7  1  0  0  0  0
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 12 17  1  0  0  0  0
  9 17  1  0  0  0  0
  7 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 26 31  1  0  0  0  0
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 21 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
  2 35  1  0  0  0  0
M  END

HMDB0254290
     RDKit          3D
Macimorelin
 65 68  0  0  0  0  0  0  0  0999 V2000
   -4.1917   -5.1041    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3803   -3.7184   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7978   -3.2116    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -3.6769   -1.6958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3764   -2.8251    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1938   -2.8865    1.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044   -1.8991   -0.3814 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2754    0.2385    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037    1.2739    1.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916    1.5499    2.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    2.5928    2.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282    3.0395    1.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    4.0825    1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957    4.3436   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    3.5181   -0.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6948    2.2298    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4607   -0.9697   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368   -0.7948   -1.8161 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -1.1086   -0.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273   -1.0534   -0.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3225   -0.8959   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888    0.3291    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    0.4831    1.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    1.7778    2.1692 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908    2.4759    1.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1124   -0.8305   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8 19  1  0
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 31 32  2  0
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 34 35  2  0
 18 10  1  0
 32 24  1  0
 18 13  1  0
 32 27  1  0
  1 36  1  0
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  3 39  1  0
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 34 65  1  0
M  END


  Mrv1652309112115302D          

 35 38  0  0  0  0            999 V2000
    5.7065   -5.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -4.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4046   -4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315   -4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3565   -4.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -3.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315   -2.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -1.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940   -1.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091   -2.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   -2.2892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7690   -3.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940   -3.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0065   -4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8315   -4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 35  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0254290

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)NC=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)

> <INCHI_KEY>
UJVDJAPJQWZRFR-UHFFFAOYSA-N

> <FORMULA>
C26H30N6O3

> <MOLECULAR_WEIGHT>
474.565

> <EXACT_MASS>
474.23793885

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
50.69273492251757

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-amino-2-methylpropanamido)-3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-1-formamidoethyl]propanamide

> <ALOGPS_LOGP>
1.77

> <JCHEM_LOGP>
1.671594392666667

> <ALOGPS_LOGS>
-4.89

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.839877778413875

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.403942706641235

> <JCHEM_PKA_STRONGEST_BASIC>
8.34177611918684

> <JCHEM_POLAR_SURFACE_AREA>
144.9

> <JCHEM_REFRACTIVITY>
133.13760000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.16e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-amino-2-methylpropanamido)-3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-1-formamidoethyl]propanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0254290
     RDKit          3D
Macimorelin
 65 68  0  0  0  0  0  0  0  0999 V2000
   -4.1917   -5.1041    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3803   -3.7184   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7978   -3.2116    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -3.6769   -1.6958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3764   -2.8251    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1938   -2.8865    1.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044   -1.8991   -0.3814 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -1.0324    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754    0.2385    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037    1.2739    1.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916    1.5499    2.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    2.5928    2.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282    3.0395    1.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    4.0825    1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957    4.3436   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    3.5181   -0.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4123    2.4826   -0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948    2.2298    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4607   -0.9697   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368   -0.7948   -1.8161 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -1.1086   -0.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273   -1.0534   -0.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3225   -0.8959   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888    0.3291    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    0.4831    1.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    1.7778    2.1692 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908    2.4759    1.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1941    3.8073    0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3821    4.1872   -0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2795    3.3052   -1.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9765    1.9781   -1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    1.5946    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0053   -2.3349   -1.7136 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -2.3278   -3.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308   -1.2379   -3.7443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256   -5.8218   -0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3498   -5.1658    1.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1498   -5.4179    0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8839   -2.2895   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9781   -3.0515    1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -3.9724   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9189   -4.3778   -2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6420   -2.7358   -1.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7543   -1.8448   -1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425   -1.5310    1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7612    0.7190   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1735    0.0395    1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989    0.9793    3.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937    3.0394    3.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639    4.7304    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540    5.1647   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    3.6885   -2.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457    1.8692   -1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0177   -1.2671    0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8436   -0.2917   -1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6277   -1.7943    0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -0.8305   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -0.3333    2.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685    2.2105    3.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822    4.5123    1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6170    5.2233   -0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4169    3.5638   -2.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833    1.2444   -2.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1033   -3.2176   -1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8249   -3.2539   -3.6756 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
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  8 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 22 33  1  0
 33 34  1  0
 34 35  2  0
 18 10  1  0
 32 24  1  0
 18 13  1  0
 32 27  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  7 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 11 48  1  0
 12 49  1  0
 14 50  1  0
 15 51  1  0
 16 52  1  0
 17 53  1  0
 21 54  1  0
 22 55  1  0
 23 56  1  0
 23 57  1  0
 25 58  1  0
 26 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 33 64  1  0
 34 65  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      10.652 -10.172   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.422  -8.838   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.089  -8.068   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.192  -7.504   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      13.732  -7.504   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      11.422  -6.171   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      12.192  -4.837   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.422  -3.503   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.882  -3.503   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.977  -4.749   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       7.512  -4.273   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       7.512  -2.733   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.368  -1.703   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.688  -0.196   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.153   0.279   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.297  -0.751   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.977  -2.257   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.732  -4.837   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      14.502  -3.503   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0      14.502  -6.171   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      16.042  -6.171   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.812  -7.504   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      18.352  -7.504   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      19.257  -6.258   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      20.722  -6.734   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      20.722  -8.274   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      21.866  -9.305   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      21.546 -10.811   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.082 -11.287   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      18.937 -10.257   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      19.257  -8.750   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      16.812  -4.837   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      16.042  -3.503   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      16.812  -2.170   0.000  0.00  0.00           O+0
HETATM   35  N   UNK     0      12.756  -9.608   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4   35                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12    9                                                  
CONECT   18    7   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   32                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   26   23                                                  
CONECT   32   21   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35    2                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

COMPND    HMDB0254290
HETATM    1  C1  UNL     1      -4.192  -5.104   0.312  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.380  -3.718  -0.245  1.00  0.00           C  
HETATM    3  C3  UNL     1      -5.798  -3.212   0.043  1.00  0.00           C  
HETATM    4  N1  UNL     1      -4.272  -3.677  -1.696  1.00  0.00           N  
HETATM    5  C4  UNL     1      -3.376  -2.825   0.357  1.00  0.00           C  
HETATM    6  O1  UNL     1      -3.194  -2.887   1.597  1.00  0.00           O  
HETATM    7  N2  UNL     1      -2.604  -1.899  -0.381  1.00  0.00           N  
HETATM    8  C5  UNL     1      -1.597  -1.032   0.305  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.275   0.239   0.686  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.504   1.274   1.351  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.392   1.550   2.711  1.00  0.00           C  
HETATM   12  N3  UNL     1      -0.574   2.593   2.861  1.00  0.00           N  
HETATM   13  C9  UNL     1      -0.128   3.039   1.684  1.00  0.00           C  
HETATM   14  C10 UNL     1       0.707   4.082   1.304  1.00  0.00           C  
HETATM   15  C11 UNL     1       0.996   4.344  -0.015  1.00  0.00           C  
HETATM   16  C12 UNL     1       0.416   3.518  -0.957  1.00  0.00           C  
HETATM   17  C13 UNL     1      -0.412   2.483  -0.596  1.00  0.00           C  
HETATM   18  C14 UNL     1      -0.695   2.230   0.726  1.00  0.00           C  
HETATM   19  C15 UNL     1      -0.461  -0.970  -0.586  1.00  0.00           C  
HETATM   20  O2  UNL     1      -0.637  -0.795  -1.816  1.00  0.00           O  
HETATM   21  N4  UNL     1       0.858  -1.109  -0.115  1.00  0.00           N  
HETATM   22  C16 UNL     1       2.027  -1.053  -0.966  1.00  0.00           C  
HETATM   23  C17 UNL     1       3.322  -0.896  -0.286  1.00  0.00           C  
HETATM   24  C18 UNL     1       3.489   0.329   0.510  1.00  0.00           C  
HETATM   25  C19 UNL     1       3.410   0.483   1.881  1.00  0.00           C  
HETATM   26  N5  UNL     1       3.656   1.778   2.169  1.00  0.00           N  
HETATM   27  C20 UNL     1       3.891   2.476   1.059  1.00  0.00           C  
HETATM   28  C21 UNL     1       4.194   3.807   0.791  1.00  0.00           C  
HETATM   29  C22 UNL     1       4.382   4.187  -0.537  1.00  0.00           C  
HETATM   30  C23 UNL     1       4.280   3.305  -1.584  1.00  0.00           C  
HETATM   31  C24 UNL     1       3.976   1.978  -1.312  1.00  0.00           C  
HETATM   32  C25 UNL     1       3.790   1.595   0.008  1.00  0.00           C  
HETATM   33  N6  UNL     1       2.005  -2.335  -1.714  1.00  0.00           N  
HETATM   34  C26 UNL     1       1.846  -2.328  -3.127  1.00  0.00           C  
HETATM   35  O3  UNL     1       1.731  -1.238  -3.744  1.00  0.00           O  
HETATM   36  H1  UNL     1      -4.026  -5.822  -0.502  1.00  0.00           H  
HETATM   37  H2  UNL     1      -3.350  -5.166   1.041  1.00  0.00           H  
HETATM   38  H3  UNL     1      -5.150  -5.418   0.818  1.00  0.00           H  
HETATM   39  H4  UNL     1      -5.884  -2.289  -0.565  1.00  0.00           H  
HETATM   40  H5  UNL     1      -5.978  -3.052   1.111  1.00  0.00           H  
HETATM   41  H6  UNL     1      -6.482  -3.972  -0.388  1.00  0.00           H  
HETATM   42  H7  UNL     1      -4.919  -4.378  -2.102  1.00  0.00           H  
HETATM   43  H8  UNL     1      -4.642  -2.736  -1.974  1.00  0.00           H  
HETATM   44  H9  UNL     1      -2.754  -1.845  -1.403  1.00  0.00           H  
HETATM   45  H10 UNL     1      -1.342  -1.531   1.291  1.00  0.00           H  
HETATM   46  H11 UNL     1      -2.761   0.719  -0.219  1.00  0.00           H  
HETATM   47  H12 UNL     1      -3.174   0.040   1.349  1.00  0.00           H  
HETATM   48  H13 UNL     1      -1.899   0.979   3.493  1.00  0.00           H  
HETATM   49  H14 UNL     1      -0.294   3.039   3.785  1.00  0.00           H  
HETATM   50  H15 UNL     1       1.164   4.730   2.037  1.00  0.00           H  
HETATM   51  H16 UNL     1       1.654   5.165  -0.311  1.00  0.00           H  
HETATM   52  H17 UNL     1       0.615   3.689  -2.025  1.00  0.00           H  
HETATM   53  H18 UNL     1      -0.846   1.869  -1.364  1.00  0.00           H  
HETATM   54  H19 UNL     1       1.018  -1.267   0.903  1.00  0.00           H  
HETATM   55  H20 UNL     1       1.844  -0.292  -1.740  1.00  0.00           H  
HETATM   56  H21 UNL     1       3.628  -1.794   0.310  1.00  0.00           H  
HETATM   57  H22 UNL     1       4.112  -0.831  -1.101  1.00  0.00           H  
HETATM   58  H23 UNL     1       3.184  -0.333   2.548  1.00  0.00           H  
HETATM   59  H24 UNL     1       3.669   2.210   3.131  1.00  0.00           H  
HETATM   60  H25 UNL     1       4.282   4.512   1.580  1.00  0.00           H  
HETATM   61  H26 UNL     1       4.617   5.223  -0.784  1.00  0.00           H  
HETATM   62  H27 UNL     1       4.417   3.564  -2.621  1.00  0.00           H  
HETATM   63  H28 UNL     1       3.883   1.244  -2.125  1.00  0.00           H  
HETATM   64  H29 UNL     1       2.103  -3.218  -1.176  1.00  0.00           H  
HETATM   65  H30 UNL     1       1.825  -3.254  -3.676  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3    4    5
CONECT    3   39   40   41
CONECT    4   42   43
CONECT    5    6    6    7
CONECT    7    8   44
CONECT    8    9   19   45
CONECT    9   10   46   47
CONECT   10   11   11   18
CONECT   11   12   48
CONECT   12   13   49
CONECT   13   14   14   18
CONECT   14   15   50
CONECT   15   16   16   51
CONECT   16   17   52
CONECT   17   18   18   53
CONECT   19   20   20   21
CONECT   21   22   54
CONECT   22   23   33   55
CONECT   23   24   56   57
CONECT   24   25   25   32
CONECT   25   26   58
CONECT   26   27   59
CONECT   27   28   28   32
CONECT   28   29   60
CONECT   29   30   30   61
CONECT   30   31   62
CONECT   31   32   32   63
CONECT   33   34   64
CONECT   34   35   35   65
END

HMDB0254290
     RDKit          3D
Macimorelin
 65 68  0  0  0  0  0  0  0  0999 V2000
   -4.1917   -5.1041    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3803   -3.7184   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7978   -3.2116    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -3.6769   -1.6958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3764   -2.8251    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1938   -2.8865    1.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044   -1.8991   -0.3814 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -1.0324    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754    0.2385    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037    1.2739    1.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916    1.5499    2.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    2.5928    2.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282    3.0395    1.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    4.0825    1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957    4.3436   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    3.5181   -0.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4123    2.4826   -0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948    2.2298    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4607   -0.9697   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368   -0.7948   -1.8161 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -1.1086   -0.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273   -1.0534   -0.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3225   -0.8959   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888    0.3291    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    0.4831    1.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    1.7778    2.1692 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908    2.4759    1.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1941    3.8073    0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3821    4.1872   -0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2795    3.3052   -1.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9765    1.9781   -1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    1.5946    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0053   -2.3349   -1.7136 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -2.3278   -3.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308   -1.2379   -3.7443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256   -5.8218   -0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3498   -5.1658    1.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1498   -5.4179    0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8839   -2.2895   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9781   -3.0515    1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -3.9724   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9189   -4.3778   -2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6420   -2.7358   -1.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7543   -1.8448   -1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425   -1.5310    1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7612    0.7190   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1735    0.0395    1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989    0.9793    3.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937    3.0394    3.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639    4.7304    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540    5.1647   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    3.6885   -2.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457    1.8692   -1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0177   -1.2671    0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8436   -0.2917   -1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6277   -1.7943    0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -0.8305   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -0.3333    2.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685    2.2105    3.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822    4.5123    1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6170    5.2233   -0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4169    3.5638   -2.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833    1.2444   -2.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1033   -3.2176   -1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8249   -3.2539   -3.6756 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
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  8 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 22 33  1  0
 33 34  1  0
 34 35  2  0
 18 10  1  0
 32 24  1  0
 18 13  1  0
 32 27  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  7 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 11 48  1  0
 12 49  1  0
 14 50  1  0
 15 51  1  0
 16 52  1  0
 17 53  1  0
 21 54  1  0
 22 55  1  0
 23 56  1  0
 23 57  1  0
 25 58  1  0
 26 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 33 64  1  0
 34 65  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₆H₃₀N₆O₃

Average Molecular Weight

474.565

Monoisotopic Molecular Weight

474.23793885

IUPAC Name

2-(2-amino-2-methylpropanamido)-3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-1-formamidoethyl]propanamide

Traditional Name

2-(2-amino-2-methylpropanamido)-3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)-1-formamidoethyl]propanamide

CAS Registry Number

Not Available

SMILES

CC(C)(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)NC=O

InChI Identifier

InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)

InChI Key

UJVDJAPJQWZRFR-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
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Triptan
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
3-alkylindole
Indole or derivatives
Indole
Fatty acyl
Fatty amide
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Organooxygen compound
Primary amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Amine
Organic oxide
Primary aliphatic amine
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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 (HMDB: HMDB0254290)

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	1.77	ALOGPS
logP	1.67	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	12.4	ChemAxon
pKa (Strongest Basic)	8.34	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	144.9 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	133.14 m³·mol⁻¹	ChemAxon
Polarizability	50.69 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	231.059	30932474
DeepCCS	[M+Na]+	206.484	30932474
AllCCS	[M+H]+	215.6	32859911
AllCCS	[M+H-H2O]+	213.8	32859911
AllCCS	[M+NH4]+	217.1	32859911
AllCCS	[M+Na]+	217.6	32859911
AllCCS	[M-H]-	203.2	32859911
AllCCS	[M+Na-2H]-	204.0	32859911
AllCCS	[M+HCOO]-	205.0	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	12.3432 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	5.05 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	2291.5 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	185.8 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	174.7 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	160.8 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	206.4 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	374.4 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	346.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	180.6 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	934.5 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	528.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1462.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	374.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	298.8 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	258.0 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	200.4 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	16.8 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Macimorelin	CC(C)(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)NC=O	5586.4	Standard polar	33892256
Macimorelin	CC(C)(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)NC=O	3456.7	Standard non polar	33892256
Macimorelin	CC(C)(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)NC=O	4598.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Macimorelin,1TMS,isomer #1	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4429.5	Semi standard non polar	33892256
Macimorelin,1TMS,isomer #1	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4168.2	Standard non polar	33892256
Macimorelin,1TMS,isomer #1	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	6146.4	Standard polar	33892256
Macimorelin,1TMS,isomer #2	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4305.0	Semi standard non polar	33892256
Macimorelin,1TMS,isomer #2	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4131.8	Standard non polar	33892256
Macimorelin,1TMS,isomer #2	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	6415.6	Standard polar	33892256
Macimorelin,1TMS,isomer #3	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4370.2	Semi standard non polar	33892256
Macimorelin,1TMS,isomer #3	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4091.1	Standard non polar	33892256
Macimorelin,1TMS,isomer #3	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	6564.9	Standard polar	33892256
Macimorelin,1TMS,isomer #4	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4284.6	Semi standard non polar	33892256
Macimorelin,1TMS,isomer #4	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4055.3	Standard non polar	33892256
Macimorelin,1TMS,isomer #4	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	6594.0	Standard polar	33892256
Macimorelin,1TMS,isomer #5	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	4364.7	Semi standard non polar	33892256
Macimorelin,1TMS,isomer #5	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	4082.0	Standard non polar	33892256
Macimorelin,1TMS,isomer #5	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	6566.4	Standard polar	33892256
Macimorelin,1TMS,isomer #6	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4386.2	Semi standard non polar	33892256
Macimorelin,1TMS,isomer #6	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4115.6	Standard non polar	33892256
Macimorelin,1TMS,isomer #6	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	6621.2	Standard polar	33892256
Macimorelin,2TMS,isomer #1	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	4447.0	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #1	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	4284.7	Standard non polar	33892256
Macimorelin,2TMS,isomer #1	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	5894.4	Standard polar	33892256
Macimorelin,2TMS,isomer #10	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4326.9	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #10	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4184.9	Standard non polar	33892256
Macimorelin,2TMS,isomer #10	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	6048.0	Standard polar	33892256
Macimorelin,2TMS,isomer #11	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4250.4	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #11	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4050.0	Standard non polar	33892256
Macimorelin,2TMS,isomer #11	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	6161.2	Standard polar	33892256
Macimorelin,2TMS,isomer #12	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	4350.7	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #12	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	4074.9	Standard non polar	33892256
Macimorelin,2TMS,isomer #12	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	6134.2	Standard polar	33892256
Macimorelin,2TMS,isomer #13	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4332.8	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #13	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4131.8	Standard non polar	33892256
Macimorelin,2TMS,isomer #13	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	6200.7	Standard polar	33892256
Macimorelin,2TMS,isomer #14	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4251.6	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #14	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4045.5	Standard non polar	33892256
Macimorelin,2TMS,isomer #14	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	6162.1	Standard polar	33892256
Macimorelin,2TMS,isomer #15	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4297.2	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #15	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4128.9	Standard non polar	33892256
Macimorelin,2TMS,isomer #15	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	6212.3	Standard polar	33892256
Macimorelin,2TMS,isomer #16	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4327.9	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #16	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4128.5	Standard non polar	33892256
Macimorelin,2TMS,isomer #16	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	6201.6	Standard polar	33892256
Macimorelin,2TMS,isomer #2	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4334.9	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #2	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4222.1	Standard non polar	33892256
Macimorelin,2TMS,isomer #2	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	5671.6	Standard polar	33892256
Macimorelin,2TMS,isomer #3	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4379.3	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #3	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4182.9	Standard non polar	33892256
Macimorelin,2TMS,isomer #3	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	5693.7	Standard polar	33892256
Macimorelin,2TMS,isomer #4	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4296.1	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #4	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4165.3	Standard non polar	33892256
Macimorelin,2TMS,isomer #4	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	5710.2	Standard polar	33892256
Macimorelin,2TMS,isomer #5	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	4373.1	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #5	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	4169.1	Standard non polar	33892256
Macimorelin,2TMS,isomer #5	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	5694.0	Standard polar	33892256
Macimorelin,2TMS,isomer #6	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4382.6	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #6	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4245.7	Standard non polar	33892256
Macimorelin,2TMS,isomer #6	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	5763.7	Standard polar	33892256
Macimorelin,2TMS,isomer #7	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4311.6	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #7	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4149.5	Standard non polar	33892256
Macimorelin,2TMS,isomer #7	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	5981.0	Standard polar	33892256
Macimorelin,2TMS,isomer #8	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4239.1	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #8	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4114.4	Standard non polar	33892256
Macimorelin,2TMS,isomer #8	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	6015.3	Standard polar	33892256
Macimorelin,2TMS,isomer #9	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4311.2	Semi standard non polar	33892256
Macimorelin,2TMS,isomer #9	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4141.2	Standard non polar	33892256
Macimorelin,2TMS,isomer #9	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	5980.2	Standard polar	33892256
Macimorelin,3TMS,isomer #1	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4434.4	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #1	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4309.3	Standard non polar	33892256
Macimorelin,3TMS,isomer #1	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5449.8	Standard polar	33892256
Macimorelin,3TMS,isomer #10	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4259.8	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #10	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4130.9	Standard non polar	33892256
Macimorelin,3TMS,isomer #10	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	5341.6	Standard polar	33892256
Macimorelin,3TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	4375.7	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	4124.9	Standard non polar	33892256
Macimorelin,3TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O	5343.9	Standard polar	33892256
Macimorelin,3TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4331.5	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4215.3	Standard non polar	33892256
Macimorelin,3TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C	5410.0	Standard polar	33892256
Macimorelin,3TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4259.8	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4123.5	Standard non polar	33892256
Macimorelin,3TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	5343.5	Standard polar	33892256
Macimorelin,3TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4294.0	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4242.4	Standard non polar	33892256
Macimorelin,3TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5392.1	Standard polar	33892256
Macimorelin,3TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4328.8	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4212.2	Standard non polar	33892256
Macimorelin,3TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	5412.2	Standard polar	33892256
Macimorelin,3TMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4226.3	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4103.1	Standard non polar	33892256
Macimorelin,3TMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	5655.6	Standard polar	33892256
Macimorelin,3TMS,isomer #17	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4314.0	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #17	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4119.4	Standard non polar	33892256
Macimorelin,3TMS,isomer #17	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	5634.0	Standard polar	33892256
Macimorelin,3TMS,isomer #18	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4312.4	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #18	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4175.9	Standard non polar	33892256
Macimorelin,3TMS,isomer #18	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5700.0	Standard polar	33892256
Macimorelin,3TMS,isomer #19	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4227.5	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #19	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4105.7	Standard non polar	33892256
Macimorelin,3TMS,isomer #19	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	5656.1	Standard polar	33892256
Macimorelin,3TMS,isomer #2	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	4455.7	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #2	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	4274.4	Standard non polar	33892256
Macimorelin,3TMS,isomer #2	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	5475.5	Standard polar	33892256
Macimorelin,3TMS,isomer #20	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4283.0	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #20	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4185.4	Standard non polar	33892256
Macimorelin,3TMS,isomer #20	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5706.8	Standard polar	33892256
Macimorelin,3TMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4310.2	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4173.3	Standard non polar	33892256
Macimorelin,3TMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5700.6	Standard polar	33892256
Macimorelin,3TMS,isomer #22	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4249.7	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #22	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4021.1	Standard non polar	33892256
Macimorelin,3TMS,isomer #22	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	5795.4	Standard polar	33892256
Macimorelin,3TMS,isomer #23	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4273.9	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #23	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4116.1	Standard non polar	33892256
Macimorelin,3TMS,isomer #23	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5844.5	Standard polar	33892256
Macimorelin,3TMS,isomer #24	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4313.9	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #24	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4095.2	Standard non polar	33892256
Macimorelin,3TMS,isomer #24	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	5841.6	Standard polar	33892256
Macimorelin,3TMS,isomer #25	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4273.8	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #25	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4118.2	Standard non polar	33892256
Macimorelin,3TMS,isomer #25	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5846.6	Standard polar	33892256
Macimorelin,3TMS,isomer #3	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4404.4	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #3	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4269.1	Standard non polar	33892256
Macimorelin,3TMS,isomer #3	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5472.6	Standard polar	33892256
Macimorelin,3TMS,isomer #4	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	4453.4	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #4	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	4260.6	Standard non polar	33892256
Macimorelin,3TMS,isomer #4	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	5475.8	Standard polar	33892256
Macimorelin,3TMS,isomer #5	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4475.9	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #5	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4345.0	Standard non polar	33892256
Macimorelin,3TMS,isomer #5	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5541.9	Standard polar	33892256
Macimorelin,3TMS,isomer #6	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4318.6	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #6	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	4202.1	Standard non polar	33892256
Macimorelin,3TMS,isomer #6	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C	5301.1	Standard polar	33892256
Macimorelin,3TMS,isomer #7	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4252.9	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #7	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4197.7	Standard non polar	33892256
Macimorelin,3TMS,isomer #7	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	5299.9	Standard polar	33892256
Macimorelin,3TMS,isomer #8	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4320.4	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #8	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4182.2	Standard non polar	33892256
Macimorelin,3TMS,isomer #8	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	5299.4	Standard polar	33892256
Macimorelin,3TMS,isomer #9	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4322.4	Semi standard non polar	33892256
Macimorelin,3TMS,isomer #9	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4273.2	Standard non polar	33892256
Macimorelin,3TMS,isomer #9	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5366.0	Standard polar	33892256
Macimorelin,4TMS,isomer #1	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4460.4	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #1	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4291.4	Standard non polar	33892256
Macimorelin,4TMS,isomer #1	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5149.9	Standard polar	33892256
Macimorelin,4TMS,isomer #10	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4458.6	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #10	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4312.5	Standard non polar	33892256
Macimorelin,4TMS,isomer #10	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5255.3	Standard polar	33892256
Macimorelin,4TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4242.8	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4170.9	Standard non polar	33892256
Macimorelin,4TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	5031.2	Standard polar	33892256
Macimorelin,4TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4334.3	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4147.0	Standard non polar	33892256
Macimorelin,4TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	5049.1	Standard polar	33892256
Macimorelin,4TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4302.9	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4240.8	Standard non polar	33892256
Macimorelin,4TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5112.4	Standard polar	33892256
Macimorelin,4TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4244.4	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4168.6	Standard non polar	33892256
Macimorelin,4TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	5031.9	Standard polar	33892256
Macimorelin,4TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4285.9	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4280.4	Standard non polar	33892256
Macimorelin,4TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5082.6	Standard polar	33892256
Macimorelin,4TMS,isomer #16	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4303.5	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #16	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4236.0	Standard non polar	33892256
Macimorelin,4TMS,isomer #16	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5112.5	Standard polar	33892256
Macimorelin,4TMS,isomer #17	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4261.1	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #17	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	4083.4	Standard non polar	33892256
Macimorelin,4TMS,isomer #17	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C	5087.3	Standard polar	33892256
Macimorelin,4TMS,isomer #18	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4279.2	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #18	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4211.5	Standard non polar	33892256
Macimorelin,4TMS,isomer #18	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5136.3	Standard polar	33892256
Macimorelin,4TMS,isomer #19	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4325.2	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #19	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	4154.0	Standard non polar	33892256
Macimorelin,4TMS,isomer #19	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C	5166.1	Standard polar	33892256
Macimorelin,4TMS,isomer #2	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4412.8	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #2	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4287.3	Standard non polar	33892256
Macimorelin,4TMS,isomer #2	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5128.9	Standard polar	33892256
Macimorelin,4TMS,isomer #20	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4282.2	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #20	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4213.3	Standard non polar	33892256
Macimorelin,4TMS,isomer #20	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5139.0	Standard polar	33892256
Macimorelin,4TMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4232.9	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4080.5	Standard non polar	33892256
Macimorelin,4TMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	5394.1	Standard polar	33892256
Macimorelin,4TMS,isomer #22	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4285.6	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #22	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4173.0	Standard non polar	33892256
Macimorelin,4TMS,isomer #22	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5446.9	Standard polar	33892256
Macimorelin,4TMS,isomer #23	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4310.3	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #23	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4136.7	Standard non polar	33892256
Macimorelin,4TMS,isomer #23	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5443.4	Standard polar	33892256
Macimorelin,4TMS,isomer #24	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4284.4	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #24	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4174.3	Standard non polar	33892256
Macimorelin,4TMS,isomer #24	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5448.0	Standard polar	33892256
Macimorelin,4TMS,isomer #25	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4281.7	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #25	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4097.7	Standard non polar	33892256
Macimorelin,4TMS,isomer #25	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	5568.0	Standard polar	33892256
Macimorelin,4TMS,isomer #3	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4461.3	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #3	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4275.7	Standard non polar	33892256
Macimorelin,4TMS,isomer #3	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5148.3	Standard polar	33892256
Macimorelin,4TMS,isomer #4	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4482.4	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #4	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4360.1	Standard non polar	33892256
Macimorelin,4TMS,isomer #4	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5213.4	Standard polar	33892256
Macimorelin,4TMS,isomer #5	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4408.3	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #5	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4246.7	Standard non polar	33892256
Macimorelin,4TMS,isomer #5	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5173.0	Standard polar	33892256
Macimorelin,4TMS,isomer #6	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	4479.1	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #6	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	4224.3	Standard non polar	33892256
Macimorelin,4TMS,isomer #6	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C)[Si](C)(C)C	5191.1	Standard polar	33892256
Macimorelin,4TMS,isomer #7	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4461.2	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #7	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4314.9	Standard non polar	33892256
Macimorelin,4TMS,isomer #7	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5253.7	Standard polar	33892256
Macimorelin,4TMS,isomer #8	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4408.1	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #8	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4242.3	Standard non polar	33892256
Macimorelin,4TMS,isomer #8	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5175.1	Standard polar	33892256
Macimorelin,4TMS,isomer #9	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4463.8	Semi standard non polar	33892256
Macimorelin,4TMS,isomer #9	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4350.1	Standard non polar	33892256
Macimorelin,4TMS,isomer #9	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5225.2	Standard polar	33892256
Macimorelin,5TMS,isomer #1	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4427.0	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #1	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4281.9	Standard non polar	33892256
Macimorelin,5TMS,isomer #1	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4894.7	Standard polar	33892256
Macimorelin,5TMS,isomer #10	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4468.0	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #10	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4333.3	Standard non polar	33892256
Macimorelin,5TMS,isomer #10	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5011.9	Standard polar	33892256
Macimorelin,5TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4251.2	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4139.9	Standard non polar	33892256
Macimorelin,5TMS,isomer #11	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C	4833.3	Standard polar	33892256
Macimorelin,5TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4288.2	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4262.0	Standard non polar	33892256
Macimorelin,5TMS,isomer #12	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4879.2	Standard polar	33892256
Macimorelin,5TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4310.7	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4192.1	Standard non polar	33892256
Macimorelin,5TMS,isomer #13	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4927.8	Standard polar	33892256
Macimorelin,5TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4286.8	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4260.4	Standard non polar	33892256
Macimorelin,5TMS,isomer #14	CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4880.2	Standard polar	33892256
Macimorelin,5TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4279.8	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4172.9	Standard non polar	33892256
Macimorelin,5TMS,isomer #15	CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C	4953.2	Standard polar	33892256
Macimorelin,5TMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4297.1	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4161.5	Standard non polar	33892256
Macimorelin,5TMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5253.5	Standard polar	33892256
Macimorelin,5TMS,isomer #2	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4490.8	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #2	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4249.9	Standard non polar	33892256
Macimorelin,5TMS,isomer #2	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4936.2	Standard polar	33892256
Macimorelin,5TMS,isomer #3	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4489.6	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #3	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4339.0	Standard non polar	33892256
Macimorelin,5TMS,isomer #3	CC(C)(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4994.5	Standard polar	33892256
Macimorelin,5TMS,isomer #4	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4424.4	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #4	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4279.5	Standard non polar	33892256
Macimorelin,5TMS,isomer #4	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4895.3	Standard polar	33892256
Macimorelin,5TMS,isomer #5	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4489.0	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #5	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4390.0	Standard non polar	33892256
Macimorelin,5TMS,isomer #5	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4946.4	Standard polar	33892256
Macimorelin,5TMS,isomer #6	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4486.7	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #6	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4335.3	Standard non polar	33892256
Macimorelin,5TMS,isomer #6	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4994.2	Standard polar	33892256
Macimorelin,5TMS,isomer #7	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4421.5	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #7	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4204.4	Standard non polar	33892256
Macimorelin,5TMS,isomer #7	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4962.2	Standard polar	33892256
Macimorelin,5TMS,isomer #8	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4467.4	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #8	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4330.1	Standard non polar	33892256
Macimorelin,5TMS,isomer #8	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5009.7	Standard polar	33892256
Macimorelin,5TMS,isomer #9	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4468.5	Semi standard non polar	33892256
Macimorelin,5TMS,isomer #9	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4258.2	Standard non polar	33892256
Macimorelin,5TMS,isomer #9	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5055.4	Standard polar	33892256
Macimorelin,1TBDMS,isomer #1	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4675.0	Semi standard non polar	33892256
Macimorelin,1TBDMS,isomer #1	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4370.5	Standard non polar	33892256
Macimorelin,1TBDMS,isomer #1	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	6027.6	Standard polar	33892256
Macimorelin,1TBDMS,isomer #2	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4603.9	Semi standard non polar	33892256
Macimorelin,1TBDMS,isomer #2	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4315.9	Standard non polar	33892256
Macimorelin,1TBDMS,isomer #2	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	6313.0	Standard polar	33892256
Macimorelin,1TBDMS,isomer #3	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4610.8	Semi standard non polar	33892256
Macimorelin,1TBDMS,isomer #3	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4263.0	Standard non polar	33892256
Macimorelin,1TBDMS,isomer #3	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	6473.7	Standard polar	33892256
Macimorelin,1TBDMS,isomer #4	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4582.1	Semi standard non polar	33892256
Macimorelin,1TBDMS,isomer #4	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4242.3	Standard non polar	33892256
Macimorelin,1TBDMS,isomer #4	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	6468.1	Standard polar	33892256
Macimorelin,1TBDMS,isomer #5	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	4604.5	Semi standard non polar	33892256
Macimorelin,1TBDMS,isomer #5	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	4253.1	Standard non polar	33892256
Macimorelin,1TBDMS,isomer #5	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	6474.4	Standard polar	33892256
Macimorelin,1TBDMS,isomer #6	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4643.5	Semi standard non polar	33892256
Macimorelin,1TBDMS,isomer #6	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4277.2	Standard non polar	33892256
Macimorelin,1TBDMS,isomer #6	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	6535.3	Standard polar	33892256
Macimorelin,2TBDMS,isomer #1	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4975.7	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #1	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4612.7	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #1	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5685.1	Standard polar	33892256
Macimorelin,2TBDMS,isomer #10	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4864.2	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #10	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4499.4	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #10	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5943.4	Standard polar	33892256
Macimorelin,2TBDMS,isomer #11	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4725.7	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #11	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4383.9	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #11	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	6008.3	Standard polar	33892256
Macimorelin,2TBDMS,isomer #12	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	4755.8	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #12	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	4390.1	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #12	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	6006.0	Standard polar	33892256
Macimorelin,2TBDMS,isomer #13	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4783.2	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #13	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4433.2	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #13	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	6076.9	Standard polar	33892256
Macimorelin,2TBDMS,isomer #14	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4723.0	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #14	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4382.5	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #14	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	6009.8	Standard polar	33892256
Macimorelin,2TBDMS,isomer #15	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4811.1	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #15	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4458.7	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #15	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6081.9	Standard polar	33892256
Macimorelin,2TBDMS,isomer #16	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4776.3	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #16	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4431.0	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #16	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	6078.4	Standard polar	33892256
Macimorelin,2TBDMS,isomer #2	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4837.7	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #2	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4567.7	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #2	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5556.9	Standard polar	33892256
Macimorelin,2TBDMS,isomer #3	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4806.7	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #3	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	4516.8	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #3	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O	5597.8	Standard polar	33892256
Macimorelin,2TBDMS,isomer #4	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4784.3	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #4	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4520.6	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #4	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5575.9	Standard polar	33892256
Macimorelin,2TBDMS,isomer #5	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	4801.5	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #5	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	4501.7	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #5	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	5598.0	Standard polar	33892256
Macimorelin,2TBDMS,isomer #6	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4843.5	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #6	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4570.5	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #6	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	5668.2	Standard polar	33892256
Macimorelin,2TBDMS,isomer #7	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4805.0	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #7	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4471.2	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #7	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5871.2	Standard polar	33892256
Macimorelin,2TBDMS,isomer #8	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4777.2	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #8	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4462.0	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #8	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5882.1	Standard polar	33892256
Macimorelin,2TBDMS,isomer #9	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4803.3	Semi standard non polar	33892256
Macimorelin,2TBDMS,isomer #9	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4464.7	Standard non polar	33892256
Macimorelin,2TBDMS,isomer #9	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5870.7	Standard polar	33892256
Macimorelin,3TBDMS,isomer #1	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5161.7	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #1	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4762.8	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #1	CC(C)(C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5360.3	Standard polar	33892256
Macimorelin,3TBDMS,isomer #10	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4911.8	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #10	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4603.1	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #10	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5326.7	Standard polar	33892256
Macimorelin,3TBDMS,isomer #11	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	4961.7	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #11	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	4562.0	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #11	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O	5349.3	Standard polar	33892256
Macimorelin,3TBDMS,isomer #12	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4969.5	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #12	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4652.1	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #12	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	5418.6	Standard polar	33892256
Macimorelin,3TBDMS,isomer #13	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4911.2	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #13	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4599.9	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #13	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5328.4	Standard polar	33892256
Macimorelin,3TBDMS,isomer #14	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4998.0	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #14	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4714.1	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #14	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5397.3	Standard polar	33892256
Macimorelin,3TBDMS,isomer #15	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4963.1	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #15	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4649.9	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #15	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	5419.9	Standard polar	33892256
Macimorelin,3TBDMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4903.6	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4554.5	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #16	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5609.5	Standard polar	33892256
Macimorelin,3TBDMS,isomer #17	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4937.3	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #17	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4530.9	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #17	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5600.8	Standard polar	33892256
Macimorelin,3TBDMS,isomer #18	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4996.7	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #18	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4597.8	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #18	CC(C)(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5669.7	Standard polar	33892256
Macimorelin,3TBDMS,isomer #19	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4903.8	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #19	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4553.9	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #19	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5610.1	Standard polar	33892256
Macimorelin,3TBDMS,isomer #2	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5122.4	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #2	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4700.8	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #2	CC(C)(C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5391.3	Standard polar	33892256
Macimorelin,3TBDMS,isomer #20	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5037.2	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #20	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4649.7	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #20	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5677.8	Standard polar	33892256
Macimorelin,3TBDMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4993.7	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4595.5	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #21	CC(C)(N)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5670.1	Standard polar	33892256
Macimorelin,3TBDMS,isomer #22	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4839.7	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #22	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4445.0	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #22	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5708.4	Standard polar	33892256
Macimorelin,3TBDMS,isomer #23	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4952.1	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #23	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4558.2	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #23	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5775.8	Standard polar	33892256
Macimorelin,3TBDMS,isomer #24	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4896.4	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #24	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	4499.8	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #24	CC(C)(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C	5770.9	Standard polar	33892256
Macimorelin,3TBDMS,isomer #25	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4952.7	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #25	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4559.1	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #25	CC(C)(N)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5777.5	Standard polar	33892256
Macimorelin,3TBDMS,isomer #3	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5127.4	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #3	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4724.5	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #3	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5366.9	Standard polar	33892256
Macimorelin,3TBDMS,isomer #4	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5122.8	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #4	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4689.1	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #4	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5391.4	Standard polar	33892256
Macimorelin,3TBDMS,isomer #5	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5180.7	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #5	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4769.1	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #5	CC(C)(C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5460.6	Standard polar	33892256
Macimorelin,3TBDMS,isomer #6	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4981.5	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #6	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4662.3	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #6	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5306.6	Standard polar	33892256
Macimorelin,3TBDMS,isomer #7	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4959.0	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #7	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4685.6	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #7	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5290.6	Standard polar	33892256
Macimorelin,3TBDMS,isomer #8	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4985.9	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #8	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	4649.0	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #8	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC=O)[Si](C)(C)C(C)(C)C	5305.4	Standard polar	33892256
Macimorelin,3TBDMS,isomer #9	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5048.5	Semi standard non polar	33892256
Macimorelin,3TBDMS,isomer #9	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4730.9	Standard non polar	33892256
Macimorelin,3TBDMS,isomer #9	CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)N(C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5376.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Macimorelin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4u-9522200000-26ddca022c0f7a4c4313	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Macimorelin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Macimorelin 10V, Positive-QTOF	splash10-0032-0100900000-bd036ffec0ae8c6b3a46	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Macimorelin 20V, Positive-QTOF	splash10-06uu-1413900000-4263dee36bed8664a557	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Macimorelin 40V, Positive-QTOF	splash10-05nf-2910000000-b259912b40bcd59303b7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Macimorelin 10V, Negative-QTOF	splash10-00di-0001900000-6e32981fc1198c033f3c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Macimorelin 20V, Negative-QTOF	splash10-0fdo-5629700000-023b5239cd9e50dc4ce6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Macimorelin 40V, Negative-QTOF	splash10-003u-4952000000-8a3b6b4e5ad006832744	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

19595524

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Macimorelin

METLIN ID

Not Available

PubChem Compound

20761479

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 Macimorelin (HMDB0254290)

MOL for HMDB0254290 (Macimorelin)

3D MOL for HMDB0254290 (Macimorelin)

3D SDF for HMDB0254290 (Macimorelin)

3D-SDF for HMDB0254290 (Macimorelin)

PDB for HMDB0254290 (Macimorelin)

3D PDB for HMDB0254290 (Macimorelin)

SMILES for HMDB0254290 (Macimorelin)

INCHI for HMDB0254290 (Macimorelin)

Structure for HMDB0254290 (Macimorelin)

3D Structure for HMDB0254290 (Macimorelin)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra