Hmdb loader

Showing metabocard for Tfllr-NH2 (HMDB0258946)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 20:48:54 UTC
Update Date2021-09-26 23:16:11 UTC
HMDB IDHMDB0258946
Secondary Accession NumbersNone
Metabolite Identification
Common NameTfllr-NH2
DescriptionTfllr-NH2 belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review a significant number of articles have been published on Tfllr-NH2. This compound has been identified in human blood as reported by (PMID: 31557052 ). Tfllr-nh2 is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Tfllr-NH2 is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0258946 (Tfllr-NH2)


  Mrv1652309112122492D          

 46 46  0  0  0  0            999 V2000
   11.8587    6.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6605    6.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8679    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2550    5.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0568    4.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2642    4.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0660    3.6013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.9742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8771    4.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6789    3.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8863    3.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6881    2.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2918    4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    5.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4808    6.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    5.0886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8955    5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1029    5.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5084    6.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1213    6.3470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195    7.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    7.7199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1121    7.3767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4440    4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4255    6.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4163    4.4021    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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  2  4  1  0  0  0  0
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 43 45  1  0  0  0  0
 42 46  1  0  0  0  0
M  END
Download

3D MOL for HMDB0258946 (Tfllr-NH2)

HMDB0258946
     RDKit          3D
Tfllr-NH2
 99 99  0  0  0  0  0  0  0  0999 V2000
    4.5067   -3.9624   -1.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -4.0687   -1.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2737   -1.8883   -0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -1.5356    0.4689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -1.3225    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987   -1.4624   -1.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0801   -0.9611    1.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6100   -2.5681    2.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3570    3.3934    0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7835    4.4108    1.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
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 45 99  1  0
M  END
Download

3D SDF for HMDB0258946 (Tfllr-NH2)


  Mrv1652309112122492D          

 46 46  0  0  0  0            999 V2000
   11.8587    6.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6605    6.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8679    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2550    5.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0568    4.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2642    4.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0660    3.6013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.9742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8771    4.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6789    3.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8863    3.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6881    2.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2918    4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    5.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4808    6.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    5.0886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8955    5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1029    5.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5084    6.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1213    6.3470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195    7.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    7.7199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1121    7.3767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0937    6.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4992    7.0335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8863    6.6903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6513    4.0589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4440    4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6421    5.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0384    3.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8403    2.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0476    2.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8495    1.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0568    1.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4624    2.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6605    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4532    3.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8311    3.9445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292    4.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4347    5.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8219    4.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0200    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8126    6.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4255    6.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4163    4.4021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 42 46  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258946

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C31H53N9O6/c1-17(2)14-22(27(43)37-21(26(33)42)12-9-13-36-31(34)35)38-28(44)23(15-18(3)4)39-29(45)24(16-20-10-7-6-8-11-20)40-30(46)25(32)19(5)41/h6-8,10-11,17-19,21-25,41H,9,12-16,32H2,1-5H3,(H2,33,42)(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H4,34,35,36)

> <INCHI_KEY>
ANAMCEKSRDPIPX-UHFFFAOYSA-N

> <FORMULA>
C31H53N9O6

> <MOLECULAR_WEIGHT>
647.822

> <EXACT_MASS>
647.411880463

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
99

> <JCHEM_AVERAGE_POLARIZABILITY>
70.78576447679407

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(2-amino-3-hydroxybutanamido)-3-phenylpropanamido]-N-[1-({1-carbamoyl-4-[(diaminomethylidene)amino]butyl}carbamoyl)-3-methylbutyl]-4-methylpentanamide

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
-1.2775287122779633

> <ALOGPS_LOGS>
-4.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.352382358506471

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.92490887418622

> <JCHEM_PKA_STRONGEST_BASIC>
10.944543506602313

> <JCHEM_POLAR_SURFACE_AREA>
270.14

> <JCHEM_REFRACTIVITY>
172.5708

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.45e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-(2-amino-3-hydroxybutanamido)-3-phenylpropanamido]-N-[1-({1-carbamoyl-4-[(diaminomethylidene)amino]butyl}carbamoyl)-3-methylbutyl]-4-methylpentanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0258946 (Tfllr-NH2)

HMDB0258946
     RDKit          3D
Tfllr-NH2
 99 99  0  0  0  0  0  0  0  0999 V2000
    4.5067   -3.9624   -1.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -4.0687   -1.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6437   -5.5493   -1.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1993   -3.3733   -0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -1.8883   -0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -1.5356    0.4689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -1.3225    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987   -1.4624   -1.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0801   -0.9611    1.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5707   -1.9462    2.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100   -2.5681    2.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094   -3.4434    3.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020   -3.6678    2.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2919   -0.5807    0.2483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9598    0.6156    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5974    1.3787    1.4627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2237    1.0616   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9755   -0.1945   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3083   -0.1539   -1.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5208   -0.1194   -2.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8138   -0.1378   -2.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9056   -0.1900   -2.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6533   -0.2242   -0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3877   -0.2076   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7870    2.2152    0.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3570    3.3934    0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7835    4.4108    1.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8794    3.5767    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3084    2.9405   -0.7023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542    5.0459    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5363    5.3403   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8342    5.7660    1.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5555   -1.2711   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295   -0.9607    0.9101 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108   -0.9675   -1.1956 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8748   -0.3758   -0.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7896    1.1072   -0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0665    1.8131   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8793    3.3123   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0302    4.0051   -0.0537 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1902    3.5976    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6755    2.2805    0.1218 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    4.6583    0.5889 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5634   -0.9857    0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9152   -0.6215    0.5955 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0346   -1.8396    1.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027   -3.4073   -2.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799   -3.6318   -0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9761   -5.0003   -1.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6878   -3.6443   -2.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -5.9992   -2.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5937   -5.9624   -0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6802   -5.5858   -2.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083   -3.5974   -0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878   -3.8611    0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747   -1.4726   -1.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494   -1.4625    1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8116   -0.0353    1.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676   -1.4421    2.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267   -2.8022    1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477   -1.9479    3.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2407   -3.8762    3.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829   -4.2691    4.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7354   -2.8127    4.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2430   -4.6333    2.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361   -3.5123    2.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050   -3.6391    1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5961   -1.1914   -0.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512    1.3133   -1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9304   -0.9018    0.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3628   -0.7933   -1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6728   -0.0745   -3.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9631   -0.0991   -3.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9431   -0.2038   -2.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5162   -0.2696    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2029   -0.2427    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5515    2.7464    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3107    3.1109    1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3658    3.0084   -0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8653    3.4123   -1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4088    5.3948   -0.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2654    4.5646    0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5371    5.5413   -1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8887    6.3024    0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8018    5.1507    2.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355   -1.1814   -2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975   -0.5869   -1.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0288    1.4070   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603    1.5745   -1.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000    1.5342    0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8804    1.4923   -1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5328    3.5469   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9980    3.5692    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1474    1.9596   -0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6442    1.5637    0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1927    4.8683    1.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6636    5.1255   -0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6522   -0.5495   -0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1537   -0.4375    1.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  9 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 17 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
  5 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  3
 41 42  1  0
 41 43  1  0
 36 44  1  0
 44 45  1  0
 44 46  2  0
 24 19  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  2 50  1  0
  3 51  1  0
  3 52  1  0
  3 53  1  0
  4 54  1  0
  4 55  1  0
  5 56  1  0
  6 57  1  0
  9 58  1  0
 10 59  1  0
 10 60  1  0
 11 61  1  0
 12 62  1  0
 12 63  1  0
 12 64  1  0
 13 65  1  0
 13 66  1  0
 13 67  1  0
 14 68  1  0
 17 69  1  0
 18 70  1  0
 18 71  1  0
 20 72  1  0
 21 73  1  0
 22 74  1  0
 23 75  1  0
 24 76  1  0
 25 77  1  0
 28 78  1  0
 29 79  1  0
 29 80  1  0
 30 81  1  0
 31 82  1  0
 31 83  1  0
 31 84  1  0
 32 85  1  0
 35 86  1  0
 36 87  1  0
 37 88  1  0
 37 89  1  0
 38 90  1  0
 38 91  1  0
 39 92  1  0
 39 93  1  0
 42 94  1  0
 42 95  1  0
 43 96  1  0
 43 97  1  0
 45 98  1  0
 45 99  1  0
M  END
Download

PDB for HMDB0258946 (Tfllr-NH2)

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      22.136  12.702   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      21.766  11.207   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.287  10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.876  10.139   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      22.506   8.644   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      21.027   8.217   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      20.657   6.722   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      19.917   9.285   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      18.437   8.858   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.067   7.363   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.588   6.936   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.218   5.441   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.478   8.004   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      17.328   9.926   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      17.697  11.421   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      15.848   9.499   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      14.738  10.566   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.259  10.139   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.149  11.207   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       9.560  11.848   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       9.930  13.343   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       8.820  14.411   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0      11.409  13.770   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      15.108  12.061   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      13.998  13.129   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0      16.588  12.488   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0      23.616   7.577   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      25.095   8.004   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      25.465   9.499   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      26.205   6.936   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      25.835   5.441   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      24.356   5.014   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      23.986   3.519   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      22.506   3.092   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      21.396   4.160   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      21.766   5.655   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      23.246   6.082   0.000  0.00  0.00           C+0
HETATM   39  N   UNK     0      27.685   7.363   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      28.055   8.858   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      26.945   9.926   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      29.534   9.285   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      29.904  10.780   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      31.384  11.207   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      28.794  11.848   0.000  0.00  0.00           O+0
HETATM   46  N   UNK     0      30.644   8.217   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   28                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   25                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   17   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28    5   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   39                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   33                                                       
CONECT   39   31   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   46                                                  
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43                                                            
CONECT   46   42                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   92    0
END
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3D PDB for HMDB0258946 (Tfllr-NH2)

COMPND    HMDB0258946
HETATM    1  C1  UNL     1       4.507  -3.962  -1.628  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.016  -4.069  -1.745  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.644  -5.549  -1.878  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.199  -3.373  -0.726  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.274  -1.888  -0.637  1.00  0.00           C  
HETATM    6  N1  UNL     1       1.331  -1.536   0.469  1.00  0.00           N  
HETATM    7  C6  UNL     1      -0.026  -1.323   0.117  1.00  0.00           C  
HETATM    8  O1  UNL     1      -0.299  -1.462  -1.141  1.00  0.00           O  
HETATM    9  C7  UNL     1      -1.080  -0.961   1.057  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.571  -1.946   2.043  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.610  -2.568   2.983  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.409  -3.443   3.998  1.00  0.00           C  
HETATM   13  C11 UNL     1       0.202  -3.668   2.239  1.00  0.00           C  
HETATM   14  N2  UNL     1      -2.292  -0.581   0.248  1.00  0.00           N  
HETATM   15  C12 UNL     1      -2.960   0.616   0.557  1.00  0.00           C  
HETATM   16  O2  UNL     1      -2.597   1.379   1.463  1.00  0.00           O  
HETATM   17  C13 UNL     1      -4.224   1.062  -0.242  1.00  0.00           C  
HETATM   18  C14 UNL     1      -4.976  -0.194  -0.413  1.00  0.00           C  
HETATM   19  C15 UNL     1      -6.308  -0.154  -1.025  1.00  0.00           C  
HETATM   20  C16 UNL     1      -6.521  -0.119  -2.373  1.00  0.00           C  
HETATM   21  C17 UNL     1      -7.814  -0.138  -2.870  1.00  0.00           C  
HETATM   22  C18 UNL     1      -8.906  -0.190  -2.014  1.00  0.00           C  
HETATM   23  C19 UNL     1      -8.653  -0.224  -0.658  1.00  0.00           C  
HETATM   24  C20 UNL     1      -7.388  -0.208  -0.130  1.00  0.00           C  
HETATM   25  N3  UNL     1      -4.787   2.215   0.197  1.00  0.00           N  
HETATM   26  C21 UNL     1      -5.357   3.393   0.645  1.00  0.00           C  
HETATM   27  O3  UNL     1      -4.783   4.411   1.153  1.00  0.00           O  
HETATM   28  C22 UNL     1      -6.879   3.577   0.540  1.00  0.00           C  
HETATM   29  N4  UNL     1      -7.308   2.940  -0.702  1.00  0.00           N  
HETATM   30  C23 UNL     1      -7.154   5.046   0.408  1.00  0.00           C  
HETATM   31  C24 UNL     1      -8.536   5.340  -0.095  1.00  0.00           C  
HETATM   32  O4  UNL     1      -6.834   5.766   1.552  1.00  0.00           O  
HETATM   33  C25 UNL     1       3.555  -1.271  -0.336  1.00  0.00           C  
HETATM   34  O5  UNL     1       3.729  -0.961   0.910  1.00  0.00           O  
HETATM   35  N5  UNL     1       4.611  -0.967  -1.196  1.00  0.00           N  
HETATM   36  C26 UNL     1       5.875  -0.376  -0.851  1.00  0.00           C  
HETATM   37  C27 UNL     1       5.790   1.107  -0.776  1.00  0.00           C  
HETATM   38  C28 UNL     1       7.067   1.813  -0.392  1.00  0.00           C  
HETATM   39  C29 UNL     1       6.879   3.312  -0.442  1.00  0.00           C  
HETATM   40  N6  UNL     1       8.030   4.005  -0.054  1.00  0.00           N  
HETATM   41  C30 UNL     1       9.190   3.598   0.184  1.00  0.00           C  
HETATM   42  N7  UNL     1       9.675   2.281   0.122  1.00  0.00           N  
HETATM   43  N8  UNL     1      10.129   4.658   0.589  1.00  0.00           N  
HETATM   44  C31 UNL     1       6.563  -0.986   0.279  1.00  0.00           C  
HETATM   45  N9  UNL     1       7.915  -0.622   0.596  1.00  0.00           N  
HETATM   46  O6  UNL     1       6.035  -1.840   1.011  1.00  0.00           O  
HETATM   47  H1  UNL     1       4.903  -3.407  -2.499  1.00  0.00           H  
HETATM   48  H2  UNL     1       4.880  -3.632  -0.656  1.00  0.00           H  
HETATM   49  H3  UNL     1       4.976  -5.000  -1.783  1.00  0.00           H  
HETATM   50  H4  UNL     1       2.688  -3.644  -2.750  1.00  0.00           H  
HETATM   51  H5  UNL     1       3.492  -5.999  -2.440  1.00  0.00           H  
HETATM   52  H6  UNL     1       2.594  -5.962  -0.867  1.00  0.00           H  
HETATM   53  H7  UNL     1       1.680  -5.586  -2.430  1.00  0.00           H  
HETATM   54  H8  UNL     1       1.108  -3.597  -0.983  1.00  0.00           H  
HETATM   55  H9  UNL     1       2.288  -3.861   0.293  1.00  0.00           H  
HETATM   56  H10 UNL     1       1.875  -1.473  -1.604  1.00  0.00           H  
HETATM   57  H11 UNL     1       1.749  -1.463   1.404  1.00  0.00           H  
HETATM   58  H12 UNL     1      -0.812  -0.035   1.612  1.00  0.00           H  
HETATM   59  H13 UNL     1      -2.368  -1.442   2.665  1.00  0.00           H  
HETATM   60  H14 UNL     1      -2.127  -2.802   1.564  1.00  0.00           H  
HETATM   61  H15 UNL     1       0.048  -1.948   3.548  1.00  0.00           H  
HETATM   62  H16 UNL     1      -2.241  -3.876   3.409  1.00  0.00           H  
HETATM   63  H17 UNL     1      -0.783  -4.269   4.361  1.00  0.00           H  
HETATM   64  H18 UNL     1      -1.735  -2.813   4.834  1.00  0.00           H  
HETATM   65  H19 UNL     1      -0.243  -4.633   2.575  1.00  0.00           H  
HETATM   66  H20 UNL     1       1.236  -3.512   2.461  1.00  0.00           H  
HETATM   67  H21 UNL     1      -0.005  -3.639   1.149  1.00  0.00           H  
HETATM   68  H22 UNL     1      -2.596  -1.191  -0.511  1.00  0.00           H  
HETATM   69  H23 UNL     1      -3.651   1.313  -1.245  1.00  0.00           H  
HETATM   70  H24 UNL     1      -4.930  -0.902   0.456  1.00  0.00           H  
HETATM   71  H25 UNL     1      -4.363  -0.793  -1.203  1.00  0.00           H  
HETATM   72  H26 UNL     1      -5.673  -0.074  -3.085  1.00  0.00           H  
HETATM   73  H27 UNL     1      -7.963  -0.099  -3.947  1.00  0.00           H  
HETATM   74  H28 UNL     1      -9.943  -0.204  -2.397  1.00  0.00           H  
HETATM   75  H29 UNL     1      -9.516  -0.270   0.028  1.00  0.00           H  
HETATM   76  H30 UNL     1      -7.203  -0.243   0.955  1.00  0.00           H  
HETATM   77  H31 UNL     1      -3.551   2.746   0.433  1.00  0.00           H  
HETATM   78  H32 UNL     1      -7.311   3.111   1.412  1.00  0.00           H  
HETATM   79  H33 UNL     1      -8.366   3.008  -0.798  1.00  0.00           H  
HETATM   80  H34 UNL     1      -6.865   3.412  -1.530  1.00  0.00           H  
HETATM   81  H35 UNL     1      -6.409   5.395  -0.406  1.00  0.00           H  
HETATM   82  H36 UNL     1      -9.265   4.565   0.141  1.00  0.00           H  
HETATM   83  H37 UNL     1      -8.537   5.541  -1.204  1.00  0.00           H  
HETATM   84  H38 UNL     1      -8.889   6.302   0.373  1.00  0.00           H  
HETATM   85  H39 UNL     1      -6.802   5.151   2.354  1.00  0.00           H  
HETATM   86  H40 UNL     1       4.435  -1.181  -2.223  1.00  0.00           H  
HETATM   87  H41 UNL     1       6.597  -0.587  -1.731  1.00  0.00           H  
HETATM   88  H42 UNL     1       5.029   1.407  -0.010  1.00  0.00           H  
HETATM   89  H43 UNL     1       5.460   1.575  -1.729  1.00  0.00           H  
HETATM   90  H44 UNL     1       7.300   1.534   0.664  1.00  0.00           H  
HETATM   91  H45 UNL     1       7.880   1.492  -1.048  1.00  0.00           H  
HETATM   92  H46 UNL     1       6.533   3.547  -1.484  1.00  0.00           H  
HETATM   93  H47 UNL     1       5.998   3.569   0.209  1.00  0.00           H  
HETATM   94  H48 UNL     1      10.147   1.960  -0.772  1.00  0.00           H  
HETATM   95  H49 UNL     1       9.644   1.564   0.862  1.00  0.00           H  
HETATM   96  H50 UNL     1      10.193   4.868   1.588  1.00  0.00           H  
HETATM   97  H51 UNL     1      10.664   5.126  -0.135  1.00  0.00           H  
HETATM   98  H52 UNL     1       8.652  -0.550  -0.135  1.00  0.00           H  
HETATM   99  H53 UNL     1       8.154  -0.438   1.584  1.00  0.00           H  
CONECT    1    2   47   48   49
CONECT    2    3    4   50
CONECT    3   51   52   53
CONECT    4    5   54   55
CONECT    5    6   33   56
CONECT    6    7   57
CONECT    7    8    8    9
CONECT    9   10   14   58
CONECT   10   11   59   60
CONECT   11   12   13   61
CONECT   12   62   63   64
CONECT   13   65   66   67
CONECT   14   15   68
CONECT   15   16   16   17
CONECT   17   18   25   69
CONECT   18   19   70   71
CONECT   19   20   20   24
CONECT   20   21   72
CONECT   21   22   22   73
CONECT   22   23   74
CONECT   23   24   24   75
CONECT   24   76
CONECT   25   26   77
CONECT   26   27   27   28
CONECT   28   29   30   78
CONECT   29   79   80
CONECT   30   31   32   81
CONECT   31   82   83   84
CONECT   32   85
CONECT   33   34   34   35
CONECT   35   36   86
CONECT   36   37   44   87
CONECT   37   38   88   89
CONECT   38   39   90   91
CONECT   39   40   92   93
CONECT   40   41   41
CONECT   41   42   43
CONECT   42   94   95
CONECT   43   96   97
CONECT   44   45   46   46
CONECT   45   98   99
END
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SMILES for HMDB0258946 (Tfllr-NH2)

CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N)C(N)=O
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INCHI for HMDB0258946 (Tfllr-NH2)

InChI=1S/C31H53N9O6/c1-17(2)14-22(27(43)37-21(26(33)42)12-9-13-36-31(34)35)38-28(44)23(15-18(3)4)39-29(45)24(16-20-10-7-6-8-11-20)40-30(46)25(32)19(5)41/h6-8,10-11,17-19,21-25,41H,9,12-16,32H2,1-5H3,(H2,33,42)(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H4,34,35,36)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-({2-[(2-amino-1,3-dihydroxybutylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-N-(1-{[4-carbamimidamido-1-(C-hydroxycarbonimidoyl)butyl]-C-hydroxycarbonimidoyl}-3-methylbutyl)-4-methylpentanimidateHMDB
Chemical FormulaC31H53N9O6
Average Molecular Weight647.822
Monoisotopic Molecular Weight647.411880463
IUPAC Name2-[2-(2-amino-3-hydroxybutanamido)-3-phenylpropanamido]-N-[1-({1-carbamoyl-4-[(diaminomethylidene)amino]butyl}carbamoyl)-3-methylbutyl]-4-methylpentanamide
Traditional Name2-[2-(2-amino-3-hydroxybutanamido)-3-phenylpropanamido]-N-[1-({1-carbamoyl-4-[(diaminomethylidene)amino]butyl}carbamoyl)-3-methylbutyl]-4-methylpentanamide
CAS Registry NumberNot Available
SMILES
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N)C(N)=O
InChI Identifier
InChI=1S/C31H53N9O6/c1-17(2)14-22(27(43)37-21(26(33)42)12-9-13-36-31(34)35)38-28(44)23(15-18(3)4)39-29(45)24(16-20-10-7-6-8-11-20)40-30(46)25(32)19(5)41/h6-8,10-11,17-19,21-25,41H,9,12-16,32H2,1-5H3,(H2,33,42)(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H4,34,35,36)
InChI KeyANAMCEKSRDPIPX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Phenylalanine or derivatives
  • Leucine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • N-acyl-amine
  • Fatty amide
  • Benzenoid
  • Monocyclic benzene moiety
  • Fatty acyl
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Guanidine
  • Amino acid or derivatives
  • Primary carboxylic acid amide
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Primary amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organooxygen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.15ALOGPS
logP-1.3ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)11.92ChemAxon
pKa (Strongest Basic)10.94ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area270.14 ŲChemAxon
Rotatable Bond Count20ChemAxon
Refractivity172.57 m³·mol⁻¹ChemAxon
Polarizability70.79 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+255.31830932474
DeepCCS[M-H]-253.37230932474
DeepCCS[M-2H]-286.61330932474
DeepCCS[M+Na]+261.05830932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.2.66 minutes32390414
Predicted by Siyang on May 30, 202212.4349 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.18 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1289.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid155.2 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid159.7 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid162.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid101.9 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid398.1 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid381.8 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)921.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid864.2 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid441.2 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid972.9 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid228.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid325.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate300.3 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA765.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water63.9 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tfllr-NH2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N)C(N)=O4860.5Standard polar33892256
Tfllr-NH2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N)C(N)=O3635.7Standard non polar33892256
Tfllr-NH2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N)C(N)=O5343.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tfllr-NH2,2TMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5000.9Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4425.7Standard non polar33892256
Tfllr-NH2,2TMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9358.2Standard polar33892256
Tfllr-NH2,2TMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4981.2Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4448.8Standard non polar33892256
Tfllr-NH2,2TMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9396.8Standard polar33892256
Tfllr-NH2,2TMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4989.5Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4441.6Standard non polar33892256
Tfllr-NH2,2TMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9393.3Standard polar33892256
Tfllr-NH2,2TMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5005.2Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4468.3Standard non polar33892256
Tfllr-NH2,2TMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9389.5Standard polar33892256
Tfllr-NH2,2TMS,isomer #13CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5139.9Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #13CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4526.4Standard non polar33892256
Tfllr-NH2,2TMS,isomer #13CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9425.8Standard polar33892256
Tfllr-NH2,2TMS,isomer #14CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4947.2Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #14CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4450.4Standard non polar33892256
Tfllr-NH2,2TMS,isomer #14CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9340.6Standard polar33892256
Tfllr-NH2,2TMS,isomer #15CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O5243.7Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #15CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O4355.5Standard non polar33892256
Tfllr-NH2,2TMS,isomer #15CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O9276.4Standard polar33892256
Tfllr-NH2,2TMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C5105.0Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C4497.3Standard non polar33892256
Tfllr-NH2,2TMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C9195.2Standard polar33892256
Tfllr-NH2,2TMS,isomer #17CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C5028.8Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #17CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4428.9Standard non polar33892256
Tfllr-NH2,2TMS,isomer #17CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C9636.9Standard polar33892256
Tfllr-NH2,2TMS,isomer #18CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O5045.0Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #18CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4421.9Standard non polar33892256
Tfllr-NH2,2TMS,isomer #18CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O9639.6Standard polar33892256
Tfllr-NH2,2TMS,isomer #19CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O5054.5Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #19CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4477.8Standard non polar33892256
Tfllr-NH2,2TMS,isomer #19CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O9571.3Standard polar33892256
Tfllr-NH2,2TMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O5087.6Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4411.3Standard non polar33892256
Tfllr-NH2,2TMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O9544.4Standard polar33892256
Tfllr-NH2,2TMS,isomer #20CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4996.6Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #20CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4432.2Standard non polar33892256
Tfllr-NH2,2TMS,isomer #20CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C9584.5Standard polar33892256
Tfllr-NH2,2TMS,isomer #21CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O5124.2Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #21CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O4506.4Standard non polar33892256
Tfllr-NH2,2TMS,isomer #21CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O9634.1Standard polar33892256
Tfllr-NH2,2TMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4902.1Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4489.2Standard non polar33892256
Tfllr-NH2,2TMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C9446.3Standard polar33892256
Tfllr-NH2,2TMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4912.7Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4478.1Standard non polar33892256
Tfllr-NH2,2TMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C9452.7Standard polar33892256
Tfllr-NH2,2TMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4924.1Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4532.7Standard non polar33892256
Tfllr-NH2,2TMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C9380.3Standard polar33892256
Tfllr-NH2,2TMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4871.1Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4502.9Standard non polar33892256
Tfllr-NH2,2TMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C9445.9Standard polar33892256
Tfllr-NH2,2TMS,isomer #26CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C5052.8Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #26CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C4568.3Standard non polar33892256
Tfllr-NH2,2TMS,isomer #26CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C9476.8Standard polar33892256
Tfllr-NH2,2TMS,isomer #27CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C4876.1Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #27CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C4419.7Standard non polar33892256
Tfllr-NH2,2TMS,isomer #27CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C9849.4Standard polar33892256
Tfllr-NH2,2TMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4869.0Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4470.0Standard non polar33892256
Tfllr-NH2,2TMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9785.9Standard polar33892256
Tfllr-NH2,2TMS,isomer #29CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4830.1Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #29CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4427.0Standard non polar33892256
Tfllr-NH2,2TMS,isomer #29CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C9807.7Standard polar33892256
Tfllr-NH2,2TMS,isomer #3CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4946.3Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #3CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4475.0Standard non polar33892256
Tfllr-NH2,2TMS,isomer #3CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C9344.4Standard polar33892256
Tfllr-NH2,2TMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4880.6Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4463.1Standard non polar33892256
Tfllr-NH2,2TMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9792.3Standard polar33892256
Tfllr-NH2,2TMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4818.0Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4420.8Standard non polar33892256
Tfllr-NH2,2TMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9805.2Standard polar33892256
Tfllr-NH2,2TMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4838.2Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4467.9Standard non polar33892256
Tfllr-NH2,2TMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9742.5Standard polar33892256
Tfllr-NH2,2TMS,isomer #4CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4897.1Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #4CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4405.5Standard non polar33892256
Tfllr-NH2,2TMS,isomer #4CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9748.8Standard polar33892256
Tfllr-NH2,2TMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4906.0Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4395.6Standard non polar33892256
Tfllr-NH2,2TMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9751.3Standard polar33892256
Tfllr-NH2,2TMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4914.2Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4431.2Standard non polar33892256
Tfllr-NH2,2TMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9678.1Standard polar33892256
Tfllr-NH2,2TMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4862.9Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4405.1Standard non polar33892256
Tfllr-NH2,2TMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9703.7Standard polar33892256
Tfllr-NH2,2TMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O5183.1Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4462.0Standard non polar33892256
Tfllr-NH2,2TMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O9134.8Standard polar33892256
Tfllr-NH2,2TMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C5051.2Semi standard non polar33892256
Tfllr-NH2,2TMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4507.0Standard non polar33892256
Tfllr-NH2,2TMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C8912.9Standard polar33892256
Tfllr-NH2,3TMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O5059.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4426.3Standard non polar33892256
Tfllr-NH2,3TMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O8818.4Standard polar33892256
Tfllr-NH2,3TMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4948.7Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4405.2Standard non polar33892256
Tfllr-NH2,3TMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C9270.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4965.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4402.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O9273.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4987.1Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4438.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O9197.5Standard polar33892256
Tfllr-NH2,3TMS,isomer #13CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4910.4Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #13CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4406.2Standard non polar33892256
Tfllr-NH2,3TMS,isomer #13CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C9219.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #14CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O5045.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #14CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O4443.1Standard non polar33892256
Tfllr-NH2,3TMS,isomer #14CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O9267.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #15CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4849.4Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #15CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4490.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #15CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C9061.1Standard polar33892256
Tfllr-NH2,3TMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4859.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4481.4Standard non polar33892256
Tfllr-NH2,3TMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C9068.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #17CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4877.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #17CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4519.0Standard non polar33892256
Tfllr-NH2,3TMS,isomer #17CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C8989.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #18CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4831.4Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #18CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4499.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #18CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C9060.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #19CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C4990.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #19CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C4556.3Standard non polar33892256
Tfllr-NH2,3TMS,isomer #19CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C9089.4Standard polar33892256
Tfllr-NH2,3TMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4955.1Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4498.8Standard non polar33892256
Tfllr-NH2,3TMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C8575.2Standard polar33892256
Tfllr-NH2,3TMS,isomer #20CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C4838.4Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #20CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C4420.4Standard non polar33892256
Tfllr-NH2,3TMS,isomer #20CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C9486.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #21CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4831.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #21CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4452.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #21CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9417.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4800.7Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4420.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C9444.1Standard polar33892256
Tfllr-NH2,3TMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4854.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4444.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9424.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4773.5Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4423.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9442.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4802.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4448.4Standard non polar33892256
Tfllr-NH2,3TMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9376.5Standard polar33892256
Tfllr-NH2,3TMS,isomer #26CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O5245.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #26CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O4389.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #26CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O8364.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #27CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C5127.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #27CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C4518.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #27CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C8311.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C5031.1Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4458.4Standard non polar33892256
Tfllr-NH2,3TMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C8836.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #29CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O5044.1Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #29CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4455.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #29CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O8831.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #3CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4891.1Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #3CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4437.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #3CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9086.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O5068.7Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4476.2Standard non polar33892256
Tfllr-NH2,3TMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O8827.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O5185.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4528.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O8855.2Standard polar33892256
Tfllr-NH2,3TMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4994.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4458.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C8769.4Standard polar33892256
Tfllr-NH2,3TMS,isomer #33CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O5102.5Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #33CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O4501.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #33CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O8829.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #34CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4948.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #34CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4527.0Standard non polar33892256
Tfllr-NH2,3TMS,isomer #34CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C8595.5Standard polar33892256
Tfllr-NH2,3TMS,isomer #35CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4957.0Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #35CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4517.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #35CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C8595.4Standard polar33892256
Tfllr-NH2,3TMS,isomer #36CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4974.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #36CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4542.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #36CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C8592.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #37CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C5067.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #37CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4593.1Standard non polar33892256
Tfllr-NH2,3TMS,isomer #37CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C8624.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #38CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4916.1Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #38CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4536.8Standard non polar33892256
Tfllr-NH2,3TMS,isomer #38CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C8594.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #39CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C5083.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #39CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C4587.4Standard non polar33892256
Tfllr-NH2,3TMS,isomer #39CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C8622.1Standard polar33892256
Tfllr-NH2,3TMS,isomer #4CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4899.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #4CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4432.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #4CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9082.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #40CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C4905.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #40CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C4462.1Standard non polar33892256
Tfllr-NH2,3TMS,isomer #40CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C9104.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #41CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4900.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #41CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4486.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #41CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9098.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #42CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C5060.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #42CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4533.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #42CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9136.2Standard polar33892256
Tfllr-NH2,3TMS,isomer #43CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4867.5Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #43CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4467.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #43CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C9056.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #44CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4918.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #44CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4481.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #44CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9095.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #45CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5058.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #45CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4533.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #45CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9130.9Standard polar33892256
Tfllr-NH2,3TMS,isomer #46CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4840.7Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #46CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4466.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #46CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9047.8Standard polar33892256
Tfllr-NH2,3TMS,isomer #47CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5055.4Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #47CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4556.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #47CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9127.4Standard polar33892256
Tfllr-NH2,3TMS,isomer #48CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4871.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #48CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4485.1Standard non polar33892256
Tfllr-NH2,3TMS,isomer #48CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9045.4Standard polar33892256
Tfllr-NH2,3TMS,isomer #49CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C5025.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #49CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4534.1Standard non polar33892256
Tfllr-NH2,3TMS,isomer #49CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9080.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4932.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4457.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9074.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #50CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N[Si](C)(C)C5161.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #50CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N[Si](C)(C)C4413.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #50CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)N[Si](C)(C)C8415.1Standard polar33892256
Tfllr-NH2,3TMS,isomer #51CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C5080.0Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #51CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4336.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #51CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C8922.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #52CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O5098.4Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #52CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O4337.2Standard non polar33892256
Tfllr-NH2,3TMS,isomer #52CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O8925.5Standard polar33892256
Tfllr-NH2,3TMS,isomer #53CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O5105.4Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #53CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O4392.8Standard non polar33892256
Tfllr-NH2,3TMS,isomer #53CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O8855.2Standard polar33892256
Tfllr-NH2,3TMS,isomer #54CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C5044.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #54CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4336.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #54CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C8854.1Standard polar33892256
Tfllr-NH2,3TMS,isomer #55CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O5139.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #55CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O4393.8Standard non polar33892256
Tfllr-NH2,3TMS,isomer #55CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O8832.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #56CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C)[Si](C)(C)C4957.0Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #56CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C)[Si](C)(C)C4492.1Standard non polar33892256
Tfllr-NH2,3TMS,isomer #56CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C)[Si](C)(C)C8884.5Standard polar33892256
Tfllr-NH2,3TMS,isomer #57CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C4970.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #57CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C4484.0Standard non polar33892256
Tfllr-NH2,3TMS,isomer #57CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C8892.2Standard polar33892256
Tfllr-NH2,3TMS,isomer #58CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C4990.0Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #58CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C4541.0Standard non polar33892256
Tfllr-NH2,3TMS,isomer #58CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C8822.8Standard polar33892256
Tfllr-NH2,3TMS,isomer #59CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C)[Si](C)(C)C4919.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #59CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C)[Si](C)(C)C4500.2Standard non polar33892256
Tfllr-NH2,3TMS,isomer #59CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C)[Si](C)(C)C8883.4Standard polar33892256
Tfllr-NH2,3TMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5068.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4504.0Standard non polar33892256
Tfllr-NH2,3TMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9127.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #60CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[Si](C)(C)C5038.8Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #60CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[Si](C)(C)C4531.1Standard non polar33892256
Tfllr-NH2,3TMS,isomer #60CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[Si](C)(C)C8875.2Standard polar33892256
Tfllr-NH2,3TMS,isomer #61CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C5104.0Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #61CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C4560.3Standard non polar33892256
Tfllr-NH2,3TMS,isomer #61CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C8904.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #62CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C4932.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #62CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C4427.0Standard non polar33892256
Tfllr-NH2,3TMS,isomer #62CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C9352.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #63CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4915.7Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #63CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4478.8Standard non polar33892256
Tfllr-NH2,3TMS,isomer #63CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C9288.9Standard polar33892256
Tfllr-NH2,3TMS,isomer #64CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4883.7Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #64CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4427.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #64CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C)[Si](C)(C)C9300.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #65CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O)[Si](C)(C)C4982.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #65CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O)[Si](C)(C)C4476.8Standard non polar33892256
Tfllr-NH2,3TMS,isomer #65CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O)[Si](C)(C)C9351.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #66CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4948.7Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #66CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O4474.0Standard non polar33892256
Tfllr-NH2,3TMS,isomer #66CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(N)=O9295.5Standard polar33892256
Tfllr-NH2,3TMS,isomer #67CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4858.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #67CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4427.9Standard non polar33892256
Tfllr-NH2,3TMS,isomer #67CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C9299.2Standard polar33892256
Tfllr-NH2,3TMS,isomer #68CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O4991.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #68CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O4474.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #68CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O9354.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #69CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4883.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #69CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C4475.2Standard non polar33892256
Tfllr-NH2,3TMS,isomer #69CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C)C(N)=O)[Si](C)(C)C9237.9Standard polar33892256
Tfllr-NH2,3TMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4858.8Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4436.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C)C(C)O[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9032.4Standard polar33892256
Tfllr-NH2,3TMS,isomer #70CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O5007.4Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #70CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O4529.1Standard non polar33892256
Tfllr-NH2,3TMS,isomer #70CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O9291.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #71CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O)[Si](C)(C)C4940.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #71CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O)[Si](C)(C)C4472.2Standard non polar33892256
Tfllr-NH2,3TMS,isomer #71CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(N)=O)[Si](C)(C)C9298.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #72CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C4835.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #72CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C4497.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #72CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C9152.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #73CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4831.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #73CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4546.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #73CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C9086.3Standard polar33892256
Tfllr-NH2,3TMS,isomer #74CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4798.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #74CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4514.4Standard non polar33892256
Tfllr-NH2,3TMS,isomer #74CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C9144.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #75CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4942.2Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #75CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4578.3Standard non polar33892256
Tfllr-NH2,3TMS,isomer #75CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C9169.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #76CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4854.7Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #76CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C4541.0Standard non polar33892256
Tfllr-NH2,3TMS,isomer #76CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C9097.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #77CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4783.5Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #77CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4509.3Standard non polar33892256
Tfllr-NH2,3TMS,isomer #77CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C9150.2Standard polar33892256
Tfllr-NH2,3TMS,isomer #78CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C4964.0Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #78CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C4565.5Standard non polar33892256
Tfllr-NH2,3TMS,isomer #78CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C9178.1Standard polar33892256
Tfllr-NH2,3TMS,isomer #79CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4810.5Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #79CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C4555.4Standard non polar33892256
Tfllr-NH2,3TMS,isomer #79CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C)[Si](C)(C)C9086.9Standard polar33892256
Tfllr-NH2,3TMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O5136.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O4319.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(N)=O8846.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #80CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C4986.5Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #80CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C4617.2Standard non polar33892256
Tfllr-NH2,3TMS,isomer #80CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C9112.6Standard polar33892256
Tfllr-NH2,3TMS,isomer #81CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4943.1Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #81CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4577.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #81CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C9170.8Standard polar33892256
Tfllr-NH2,3TMS,isomer #82CC(C)CC(C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C4792.3Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #82CC(C)CC(C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C4444.7Standard non polar33892256
Tfllr-NH2,3TMS,isomer #82CC(C)CC(C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C9531.1Standard polar33892256
Tfllr-NH2,3TMS,isomer #83CC(C)CC(C(=O)NC(CCCN=C(N)N)C(N)=O)N(C(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4850.9Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #83CC(C)CC(C(=O)NC(CCCN=C(N)N)C(N)=O)N(C(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4487.6Standard non polar33892256
Tfllr-NH2,3TMS,isomer #83CC(C)CC(C(=O)NC(CCCN=C(N)N)C(N)=O)N(C(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C9518.0Standard polar33892256
Tfllr-NH2,3TMS,isomer #84CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4782.6Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #84CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C4489.3Standard non polar33892256
Tfllr-NH2,3TMS,isomer #84CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C)[Si](C)(C)C9473.1Standard polar33892256
Tfllr-NH2,3TMS,isomer #85CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4770.1Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #85CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C4487.8Standard non polar33892256
Tfllr-NH2,3TMS,isomer #85CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C9474.7Standard polar33892256
Tfllr-NH2,3TMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C5017.5Semi standard non polar33892256
Tfllr-NH2,3TMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C4476.3Standard non polar33892256
Tfllr-NH2,3TMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C)C(=O)N[Si](C)(C)C8807.5Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5403.5Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4727.5Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #1CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9157.9Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C5400.2Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C4738.6Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #10CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C9164.8Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5406.8Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4732.4Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #11CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9160.6Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5406.3Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4759.8Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #12CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9160.5Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #13CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5505.8Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #13CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4776.9Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #13CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9200.4Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #14CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C5358.5Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #14CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C4740.0Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #14CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C9121.4Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #15CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=O5625.8Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #15CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=O4635.1Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #15CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=O8921.9Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C5483.9Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C4765.1Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #16CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C8931.4Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #17CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O)[Si](C)(C)C(C)(C)C5464.0Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #17CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O)[Si](C)(C)C(C)(C)C4698.8Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #17CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O)[Si](C)(C)C(C)(C)C9367.2Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #18CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O5475.1Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #18CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O4692.1Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #18CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O9369.4Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #19CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O5467.3Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #19CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O4740.2Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #19CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O9320.9Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O5489.1Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O4692.3Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #2CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O9312.1Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #20CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O)[Si](C)(C)C(C)(C)C5425.5Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #20CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O)[Si](C)(C)C(C)(C)C4700.1Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #20CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O)[Si](C)(C)C(C)(C)C9326.5Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #21CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O5496.8Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #21CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O4766.7Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #21CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=O9370.5Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5345.6Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4772.7Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #22CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C9185.0Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C5352.7Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C4762.9Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #23CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C9191.2Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C5347.5Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C4809.7Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #24CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C9141.3Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5305.2Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4779.2Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #25CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C9185.5Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #26CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5424.0Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #26CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4827.4Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #26CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C9216.4Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #27CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C5324.4Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #27CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C4712.6Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #27CC(C)CC(C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C9609.2Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C5322.6Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C4751.7Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #28CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C9559.3Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #29CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5272.6Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #29CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4715.1Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #29CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)C(=O)N(C(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C9575.6Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #3CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C5367.4Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #3CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C4769.1Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #3CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C9127.8Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5311.6Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4749.8Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #30CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9566.4Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C5292.4Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C4707.4Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #31CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C9572.2Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C5289.0Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C4746.7Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #32CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O)[Si](C)(C)C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C9526.7Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #4CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C5340.7Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #4CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C4699.2Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #4CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C9536.2Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5348.8Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4691.0Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #5CC(C)CC(NC(=O)C(CC(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9538.9Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O5336.2Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O4727.2Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #6CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCN=C(N)N)C(N)=O9484.0Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C5296.2Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C4698.7Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #7CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N(C(CCCN=C(N)N)C(N)=O)[Si](C)(C)C(C)(C)C9503.9Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O5544.5Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O4734.2Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #8CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(N)=O8906.2Standard polar33892256
Tfllr-NH2,2TBDMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C5432.5Semi standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C4801.4Standard non polar33892256
Tfllr-NH2,2TBDMS,isomer #9CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N[Si](C)(C)C(C)(C)C8695.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TBDMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TBDMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TBDMS_1_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tfllr-NH2 GC-MS (TBDMS_1_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID57469507
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound76420061
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]