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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 01:45:09 UTC

Update Date

2021-09-26 22:58:44 UTC

HMDB ID

HMDB0248445

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Anisperimus

Description

Anisperimus belongs to the class of organic compounds known as carbamate esters. Carbamate esters are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids. Based on a literature review very few articles have been published on Anisperimus. This compound has been identified in human blood as reported by (PMID: 31557052 ). Anisperimus is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Anisperimus is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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


  Mrv1652309112103452D          

 28 27  0  0  0  0            999 V2000
    9.7086    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    6.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7099    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4243    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1388    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    5.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2822    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    7.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4269    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1414    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4269    5.6052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4230    7.6677    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  2 28  1  0  0  0  0
M  END

HMDB0248445
     RDKit          3D
Anisperimus
 67 66  0  0  0  0  0  0  0  0999 V2000
   10.3865    1.7962   -0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    0.9872   -0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    0.2798   -1.8375 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0222    2.0007   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7273    1.2439    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875    0.3774    1.1446 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9080   -0.5746    1.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9213   -1.6653    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7220   -2.5800    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509   -1.8732    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775   -2.7135    0.5807 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0163   -2.2531    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -1.1143   -0.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1971   -2.9241    0.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3595   -2.2774   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6548   -0.9931    0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657   -0.9596    1.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -0.0474   -0.0710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1529    0.9095   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5365    1.0403   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1935   -0.3306   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5596   -0.2672    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4345    0.6858   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8651    0.6342    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7201    1.5122   -0.4562 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0071    1.4203   -0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6260    0.4983    0.5100 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7808    2.2928   -1.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5040    2.1405   -1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750    1.2427   -0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2997    2.7035   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3172    0.3443    0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5169    0.3947   -2.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6254   -0.7199   -1.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3439    2.4481    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8881    2.7834   -0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9617    2.0331    0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    0.7682   -0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0378    0.9912    1.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9772   -0.0438    1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1908   -1.1000    2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8096   -2.2980    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222   -1.2837   -0.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -3.5290    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7728   -2.7670    1.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111   -0.9084    0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4002   -1.6360   -0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084   -3.6051    1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2668   -2.8842   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544   -2.0792   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    0.7252    1.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981    1.9399   -0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    0.6803   -1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3037    1.3822    0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0899    1.7557   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2706   -0.7189   -1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5495   -1.0536    0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0034   -1.2844    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4380    0.1128    1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5275    0.4823   -1.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0396    1.7303   -0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2183   -0.4190    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7933    0.9852    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1201   -0.2240    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6861    0.5476    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6463    2.3834   -2.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5286    2.8743   -0.6850 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  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 26 28  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  4 35  1  0
  4 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  0
  7 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
  9 45  1  0
 10 46  1  0
 10 47  1  0
 11 48  1  0
 15 49  1  0
 15 50  1  0
 18 51  1  0
 19 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 22 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 27 64  1  0
 27 65  1  0
 28 66  1  0
 28 67  1  0
M  END


  Mrv1652309112103452D          

 28 27  0  0  0  0            999 V2000
    9.7086    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    6.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7099    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4243    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1388    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    5.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2822    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    7.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4269    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1414    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4269    5.6052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4230    7.6677    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  2 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248445

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N

> <INCHI_IDENTIFIER>
InChI=1S/C18H39N7O3/c1-15(19)8-13-22-9-6-7-12-25-18(27)28-14-16(26)23-10-4-2-3-5-11-24-17(20)21/h15,22H,2-14,19H2,1H3,(H,23,26)(H,25,27)(H4,20,21,24)

> <INCHI_KEY>
PZDPVSFZTKORSP-UHFFFAOYSA-N

> <FORMULA>
C18H39N7O3

> <MOLECULAR_WEIGHT>
401.556

> <EXACT_MASS>
401.311438144

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
48.23553803474391

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({6-[(diaminomethylidene)amino]hexyl}carbamoyl)methyl N-{4-[(3-aminobutyl)amino]butyl}carbamate

> <ALOGPS_LOGP>
-0.09

> <JCHEM_LOGP>
-1.1183625686666687

> <ALOGPS_LOGS>
-3.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
16.040080511791523

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.272147838136817

> <JCHEM_PKA_STRONGEST_BASIC>
11.739014042811576

> <JCHEM_POLAR_SURFACE_AREA>
169.88000000000002

> <JCHEM_REFRACTIVITY>
110.34169999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.45e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({6-[(diaminomethylidene)amino]hexyl}carbamoyl)methyl N-{4-[(3-aminobutyl)amino]butyl}carbamate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0248445
     RDKit          3D
Anisperimus
 67 66  0  0  0  0  0  0  0  0999 V2000
   10.3865    1.7962   -0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    0.9872   -0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    0.2798   -1.8375 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0222    2.0007   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7273    1.2439    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875    0.3774    1.1446 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9080   -0.5746    1.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9213   -1.6653    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7220   -2.5800    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509   -1.8732    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775   -2.7135    0.5807 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0163   -2.2531    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -1.1143   -0.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1971   -2.9241    0.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3595   -2.2774   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6548   -0.9931    0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657   -0.9596    1.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -0.0474   -0.0710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1529    0.9095   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5365    1.0403   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1935   -0.3306   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5596   -0.2672    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4345    0.6858   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8651    0.6342    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7201    1.5122   -0.4562 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0071    1.4203   -0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6260    0.4983    0.5100 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7808    2.2928   -1.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5040    2.1405   -1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750    1.2427   -0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2997    2.7035   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3172    0.3443    0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5169    0.3947   -2.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6254   -0.7199   -1.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3439    2.4481    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8881    2.7834   -0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9617    2.0331    0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    0.7682   -0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0378    0.9912    1.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9772   -0.0438    1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1908   -1.1000    2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8096   -2.2980    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222   -1.2837   -0.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -3.5290    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7728   -2.7670    1.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111   -0.9084    0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4002   -1.6360   -0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084   -3.6051    1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2668   -2.8842   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544   -2.0792   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    0.7252    1.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981    1.9399   -0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    0.6803   -1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3037    1.3822    0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0899    1.7557   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2706   -0.7189   -1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5495   -1.0536    0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0034   -1.2844    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4380    0.1128    1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5275    0.4823   -1.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0396    1.7303   -0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2183   -0.4190    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7933    0.9852    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1201   -0.2240    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6861    0.5476    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6463    2.3834   -2.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5286    2.8743   -0.6850 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  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 26 28  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  4 35  1  0
  4 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  0
  7 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
  9 45  1  0
 10 46  1  0
 10 47  1  0
 11 48  1  0
 15 49  1  0
 15 50  1  0
 18 51  1  0
 19 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 22 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 27 64  1  0
 27 65  1  0
 28 66  1  0
 28 67  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      18.123  12.003   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      19.456  12.773   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.790  12.003   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.124  12.773   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      23.457  12.003   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      24.791  12.773   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      26.125  12.003   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      27.458  12.773   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      28.792  12.003   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      30.126  12.773   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      31.459  12.003   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      31.459  10.463   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      32.793  12.773   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      34.127  12.003   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      35.460  12.773   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      35.460  14.313   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      36.794  12.003   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      38.128  12.773   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      39.462  12.003   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      40.795  12.773   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      42.129  12.003   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      43.463  12.773   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      44.796  12.003   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      46.130  12.773   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      47.464  12.003   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      48.797  12.773   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0      47.464  10.463   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0      19.456  14.313   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   28                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28    2                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   54    0
END

COMPND    HMDB0248445
HETATM    1  C1  UNL     1      10.386   1.796  -0.856  1.00  0.00           C  
HETATM    2  C2  UNL     1       9.121   0.987  -0.622  1.00  0.00           C  
HETATM    3  N1  UNL     1       8.714   0.280  -1.837  1.00  0.00           N  
HETATM    4  C3  UNL     1       8.022   2.001  -0.241  1.00  0.00           C  
HETATM    5  C4  UNL     1       6.727   1.244   0.012  1.00  0.00           C  
HETATM    6  N2  UNL     1       6.987   0.377   1.145  1.00  0.00           N  
HETATM    7  C5  UNL     1       5.908  -0.575   1.383  1.00  0.00           C  
HETATM    8  C6  UNL     1       5.921  -1.665   0.347  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.722  -2.580   0.638  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.451  -1.873   0.312  1.00  0.00           C  
HETATM   11  N3  UNL     1       2.277  -2.714   0.581  1.00  0.00           N  
HETATM   12  C9  UNL     1       1.016  -2.253   0.167  1.00  0.00           C  
HETATM   13  O1  UNL     1       0.947  -1.114  -0.400  1.00  0.00           O  
HETATM   14  O2  UNL     1      -0.197  -2.924   0.300  1.00  0.00           O  
HETATM   15  C10 UNL     1      -1.360  -2.277  -0.207  1.00  0.00           C  
HETATM   16  C11 UNL     1      -1.655  -0.993   0.557  1.00  0.00           C  
HETATM   17  O3  UNL     1      -1.166  -0.960   1.710  1.00  0.00           O  
HETATM   18  N4  UNL     1      -2.401  -0.047  -0.071  1.00  0.00           N  
HETATM   19  C12 UNL     1      -3.153   0.909  -0.700  1.00  0.00           C  
HETATM   20  C13 UNL     1      -4.536   1.040  -0.028  1.00  0.00           C  
HETATM   21  C14 UNL     1      -5.194  -0.331  -0.080  1.00  0.00           C  
HETATM   22  C15 UNL     1      -6.560  -0.267   0.499  1.00  0.00           C  
HETATM   23  C16 UNL     1      -7.435   0.686  -0.263  1.00  0.00           C  
HETATM   24  C17 UNL     1      -8.865   0.634   0.336  1.00  0.00           C  
HETATM   25  N5  UNL     1      -9.720   1.512  -0.456  1.00  0.00           N  
HETATM   26  C18 UNL     1     -11.007   1.420  -0.350  1.00  0.00           C  
HETATM   27  N6  UNL     1     -11.626   0.498   0.510  1.00  0.00           N  
HETATM   28  N7  UNL     1     -11.781   2.293  -1.151  1.00  0.00           N  
HETATM   29  H1  UNL     1      10.504   2.140  -1.900  1.00  0.00           H  
HETATM   30  H2  UNL     1      11.275   1.243  -0.512  1.00  0.00           H  
HETATM   31  H3  UNL     1      10.300   2.704  -0.238  1.00  0.00           H  
HETATM   32  H4  UNL     1       9.317   0.344   0.226  1.00  0.00           H  
HETATM   33  H5  UNL     1       9.517   0.395  -2.515  1.00  0.00           H  
HETATM   34  H6  UNL     1       8.625  -0.720  -1.617  1.00  0.00           H  
HETATM   35  H7  UNL     1       8.344   2.448   0.715  1.00  0.00           H  
HETATM   36  H8  UNL     1       7.888   2.783  -0.990  1.00  0.00           H  
HETATM   37  H9  UNL     1       5.962   2.033   0.332  1.00  0.00           H  
HETATM   38  H10 UNL     1       6.331   0.768  -0.878  1.00  0.00           H  
HETATM   39  H11 UNL     1       7.038   0.991   1.980  1.00  0.00           H  
HETATM   40  H12 UNL     1       4.977  -0.044   1.540  1.00  0.00           H  
HETATM   41  H13 UNL     1       6.191  -1.100   2.359  1.00  0.00           H  
HETATM   42  H14 UNL     1       6.810  -2.298   0.370  1.00  0.00           H  
HETATM   43  H15 UNL     1       5.822  -1.284  -0.704  1.00  0.00           H  
HETATM   44  H16 UNL     1       4.771  -3.529   0.125  1.00  0.00           H  
HETATM   45  H17 UNL     1       4.773  -2.767   1.745  1.00  0.00           H  
HETATM   46  H18 UNL     1       3.311  -0.908   0.824  1.00  0.00           H  
HETATM   47  H19 UNL     1       3.400  -1.636  -0.794  1.00  0.00           H  
HETATM   48  H20 UNL     1       2.408  -3.605   1.057  1.00  0.00           H  
HETATM   49  H21 UNL     1      -2.267  -2.884  -0.087  1.00  0.00           H  
HETATM   50  H22 UNL     1      -1.154  -2.079  -1.255  1.00  0.00           H  
HETATM   51  H23 UNL     1      -2.410   0.725   1.059  1.00  0.00           H  
HETATM   52  H24 UNL     1      -2.698   1.940  -0.667  1.00  0.00           H  
HETATM   53  H25 UNL     1      -3.367   0.680  -1.799  1.00  0.00           H  
HETATM   54  H26 UNL     1      -4.304   1.382   0.995  1.00  0.00           H  
HETATM   55  H27 UNL     1      -5.090   1.756  -0.610  1.00  0.00           H  
HETATM   56  H28 UNL     1      -5.271  -0.719  -1.124  1.00  0.00           H  
HETATM   57  H29 UNL     1      -4.550  -1.054   0.486  1.00  0.00           H  
HETATM   58  H30 UNL     1      -7.003  -1.284   0.591  1.00  0.00           H  
HETATM   59  H31 UNL     1      -6.438   0.113   1.556  1.00  0.00           H  
HETATM   60  H32 UNL     1      -7.528   0.482  -1.337  1.00  0.00           H  
HETATM   61  H33 UNL     1      -7.040   1.730  -0.067  1.00  0.00           H  
HETATM   62  H34 UNL     1      -9.218  -0.419   0.278  1.00  0.00           H  
HETATM   63  H35 UNL     1      -8.793   0.985   1.369  1.00  0.00           H  
HETATM   64  H36 UNL     1     -11.120  -0.224   1.029  1.00  0.00           H  
HETATM   65  H37 UNL     1     -12.686   0.548   0.643  1.00  0.00           H  
HETATM   66  H38 UNL     1     -11.646   2.383  -2.170  1.00  0.00           H  
HETATM   67  H39 UNL     1     -12.529   2.874  -0.685  1.00  0.00           H  
CONECT    1    2   29   30   31
CONECT    2    3    4   32
CONECT    3   33   34
CONECT    4    5   35   36
CONECT    5    6   37   38
CONECT    6    7   39
CONECT    7    8   40   41
CONECT    8    9   42   43
CONECT    9   10   44   45
CONECT   10   11   46   47
CONECT   11   12   48
CONECT   12   13   13   14
CONECT   14   15
CONECT   15   16   49   50
CONECT   16   17   17   18
CONECT   18   19   51
CONECT   19   20   52   53
CONECT   20   21   54   55
CONECT   21   22   56   57
CONECT   22   23   58   59
CONECT   23   24   60   61
CONECT   24   25   62   63
CONECT   25   26   26
CONECT   26   27   28
CONECT   27   64   65
CONECT   28   66   67
END

HMDB0248445
     RDKit          3D
Anisperimus
 67 66  0  0  0  0  0  0  0  0999 V2000
   10.3865    1.7962   -0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    0.9872   -0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    0.2798   -1.8375 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0222    2.0007   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7273    1.2439    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875    0.3774    1.1446 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9080   -0.5746    1.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9213   -1.6653    0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7220   -2.5800    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509   -1.8732    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775   -2.7135    0.5807 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0163   -2.2531    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -1.1143   -0.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1971   -2.9241    0.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3595   -2.2774   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6548   -0.9931    0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657   -0.9596    1.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -0.0474   -0.0710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1529    0.9095   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5365    1.0403   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1935   -0.3306   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5596   -0.2672    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4345    0.6858   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8651    0.6342    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7201    1.5122   -0.4562 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0071    1.4203   -0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6260    0.4983    0.5100 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7808    2.2928   -1.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5040    2.1405   -1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750    1.2427   -0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2997    2.7035   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3172    0.3443    0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5169    0.3947   -2.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6254   -0.7199   -1.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3439    2.4481    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8881    2.7834   -0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9617    2.0331    0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    0.7682   -0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0378    0.9912    1.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9772   -0.0438    1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1908   -1.1000    2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8096   -2.2980    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222   -1.2837   -0.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -3.5290    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7728   -2.7670    1.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111   -0.9084    0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4002   -1.6360   -0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084   -3.6051    1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2668   -2.8842   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544   -2.0792   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    0.7252    1.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981    1.9399   -0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    0.6803   -1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3037    1.3822    0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0899    1.7557   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2706   -0.7189   -1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5495   -1.0536    0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0034   -1.2844    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4380    0.1128    1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5275    0.4823   -1.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0396    1.7303   -0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2183   -0.4190    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7933    0.9852    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1201   -0.2240    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6861    0.5476    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6463    2.3834   -2.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5286    2.8743   -0.6850 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  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 26 28  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  4 35  1  0
  4 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  0
  7 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
  9 45  1  0
 10 46  1  0
 10 47  1  0
 11 48  1  0
 15 49  1  0
 15 50  1  0
 18 51  1  0
 19 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 22 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 27 64  1  0
 27 65  1  0
 28 66  1  0
 28 67  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₈H₃₉N₇O₃

Average Molecular Weight

401.556

Monoisotopic Molecular Weight

401.311438144

IUPAC Name

({6-[(diaminomethylidene)amino]hexyl}carbamoyl)methyl N-{4-[(3-aminobutyl)amino]butyl}carbamate

Traditional Name

({6-[(diaminomethylidene)amino]hexyl}carbamoyl)methyl N-{4-[(3-aminobutyl)amino]butyl}carbamate

CAS Registry Number

Not Available

SMILES

CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N

InChI Identifier

InChI=1S/C18H39N7O3/c1-15(19)8-13-22-9-6-7-12-25-18(27)28-14-16(26)23-10-4-2-3-5-11-24-17(20)21/h15,22H,2-14,19H2,1H3,(H,23,26)(H,25,27)(H4,20,21,24)

InChI Key

PZDPVSFZTKORSP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carbamate esters. Carbamate esters are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Carbamate esters

Alternative Parents

Substituents

Carbamic acid ester
Carboxamide group
Guanidine
Secondary carboxylic acid amide
Secondary aliphatic amine
Secondary amine
Carboximidamide
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.09	ALOGPS
logP	-1.1	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	15.27	ChemAxon
pKa (Strongest Basic)	11.74	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	169.88 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	110.34 m³·mol⁻¹	ChemAxon
Polarizability	48.24 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	193.741	30932474
DeepCCS	[M-H]-	191.383	30932474
DeepCCS	[M-2H]-	224.308	30932474
DeepCCS	[M+Na]+	199.834	30932474
AllCCS	[M+H]+	196.8	32859911
AllCCS	[M+H-H2O]+	194.9	32859911
AllCCS	[M+NH4]+	198.4	32859911
AllCCS	[M+Na]+	198.9	32859911
AllCCS	[M-H]-	202.2	32859911
AllCCS	[M+Na-2H]-	203.4	32859911
AllCCS	[M+HCOO]-	204.9	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	9.4975 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	6.36 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	384.1 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	199.4 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	86.1 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	177.5 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	71.5 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	326.7 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	283.0 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1284.6 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	593.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	53.1 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	525.9 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	191.2 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	287.6 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	1343.5 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	967.2 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	396.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Anisperimus	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N	4162.2	Standard polar	33892256
Anisperimus	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N	3374.4	Standard non polar	33892256
Anisperimus	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N	3752.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Anisperimus,1TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N[Si](C)(C)C	3848.2	Semi standard non polar	33892256
Anisperimus,1TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N[Si](C)(C)C	3446.4	Standard non polar	33892256
Anisperimus,1TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N[Si](C)(C)C	6732.7	Standard polar	33892256
Anisperimus,1TMS,isomer #2	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C	3876.3	Semi standard non polar	33892256
Anisperimus,1TMS,isomer #2	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C	3538.9	Standard non polar	33892256
Anisperimus,1TMS,isomer #2	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C	6968.1	Standard polar	33892256
Anisperimus,1TMS,isomer #3	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C	3787.5	Semi standard non polar	33892256
Anisperimus,1TMS,isomer #3	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C	3454.5	Standard non polar	33892256
Anisperimus,1TMS,isomer #3	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C	7070.9	Standard polar	33892256
Anisperimus,1TMS,isomer #4	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C	3695.5	Semi standard non polar	33892256
Anisperimus,1TMS,isomer #4	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C	3423.3	Standard non polar	33892256
Anisperimus,1TMS,isomer #4	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C	7039.5	Standard polar	33892256
Anisperimus,1TMS,isomer #5	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C	3685.4	Semi standard non polar	33892256
Anisperimus,1TMS,isomer #5	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C	3460.7	Standard non polar	33892256
Anisperimus,1TMS,isomer #5	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C	7058.7	Standard polar	33892256
Anisperimus,2TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C	3947.6	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C	3530.5	Standard non polar	33892256
Anisperimus,2TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C	6421.0	Standard polar	33892256
Anisperimus,2TMS,isomer #10	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	3880.0	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #10	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	3608.4	Standard non polar	33892256
Anisperimus,2TMS,isomer #10	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C	6698.9	Standard polar	33892256
Anisperimus,2TMS,isomer #11	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	3682.5	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #11	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	3443.8	Standard non polar	33892256
Anisperimus,2TMS,isomer #11	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	6906.2	Standard polar	33892256
Anisperimus,2TMS,isomer #12	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	3683.3	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #12	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	3483.4	Standard non polar	33892256
Anisperimus,2TMS,isomer #12	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	6926.6	Standard polar	33892256
Anisperimus,2TMS,isomer #13	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	3595.7	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #13	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	3453.0	Standard non polar	33892256
Anisperimus,2TMS,isomer #13	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C	6886.2	Standard polar	33892256
Anisperimus,2TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	3827.8	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	3464.2	Standard non polar	33892256
Anisperimus,2TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	6599.1	Standard polar	33892256
Anisperimus,2TMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	3751.6	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	3431.0	Standard non polar	33892256
Anisperimus,2TMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	6541.4	Standard polar	33892256
Anisperimus,2TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	3764.2	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	3465.1	Standard non polar	33892256
Anisperimus,2TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)N[Si](C)(C)C	6560.9	Standard polar	33892256
Anisperimus,2TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	3924.0	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	3518.5	Standard non polar	33892256
Anisperimus,2TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	6621.4	Standard polar	33892256
Anisperimus,2TMS,isomer #6	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C	3974.3	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #6	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C	3478.1	Standard non polar	33892256
Anisperimus,2TMS,isomer #6	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C	6522.8	Standard polar	33892256
Anisperimus,2TMS,isomer #7	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	3882.8	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #7	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	3516.9	Standard non polar	33892256
Anisperimus,2TMS,isomer #7	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	6795.5	Standard polar	33892256
Anisperimus,2TMS,isomer #8	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	3799.4	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #8	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	3480.2	Standard non polar	33892256
Anisperimus,2TMS,isomer #8	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	6750.2	Standard polar	33892256
Anisperimus,2TMS,isomer #9	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	3824.5	Semi standard non polar	33892256
Anisperimus,2TMS,isomer #9	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	3524.5	Standard non polar	33892256
Anisperimus,2TMS,isomer #9	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C	6770.6	Standard polar	33892256
Anisperimus,3TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C	4066.0	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C	3443.4	Standard non polar	33892256
Anisperimus,3TMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C	5787.1	Standard polar	33892256
Anisperimus,3TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3663.0	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3449.5	Standard non polar	33892256
Anisperimus,3TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6337.5	Standard polar	33892256
Anisperimus,3TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3818.7	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3498.2	Standard non polar	33892256
Anisperimus,3TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6380.2	Standard polar	33892256
Anisperimus,3TMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3856.1	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3525.7	Standard non polar	33892256
Anisperimus,3TMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6398.0	Standard polar	33892256
Anisperimus,3TMS,isomer #13	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3981.3	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #13	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3438.1	Standard non polar	33892256
Anisperimus,3TMS,isomer #13	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	6212.5	Standard polar	33892256
Anisperimus,3TMS,isomer #14	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3895.8	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #14	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3374.5	Standard non polar	33892256
Anisperimus,3TMS,isomer #14	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	6147.6	Standard polar	33892256
Anisperimus,3TMS,isomer #15	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3931.2	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #15	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3434.8	Standard non polar	33892256
Anisperimus,3TMS,isomer #15	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	6167.8	Standard polar	33892256
Anisperimus,3TMS,isomer #16	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3954.5	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #16	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3592.7	Standard non polar	33892256
Anisperimus,3TMS,isomer #16	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5968.1	Standard polar	33892256
Anisperimus,3TMS,isomer #17	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3790.2	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #17	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3468.1	Standard non polar	33892256
Anisperimus,3TMS,isomer #17	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6562.7	Standard polar	33892256
Anisperimus,3TMS,isomer #18	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3817.6	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #18	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3512.0	Standard non polar	33892256
Anisperimus,3TMS,isomer #18	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6582.0	Standard polar	33892256
Anisperimus,3TMS,isomer #19	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3855.8	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #19	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3570.4	Standard non polar	33892256
Anisperimus,3TMS,isomer #19	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6511.0	Standard polar	33892256
Anisperimus,3TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3951.0	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3503.3	Standard non polar	33892256
Anisperimus,3TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6218.5	Standard polar	33892256
Anisperimus,3TMS,isomer #20	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3730.7	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #20	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3481.4	Standard non polar	33892256
Anisperimus,3TMS,isomer #20	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6534.7	Standard polar	33892256
Anisperimus,3TMS,isomer #21	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3787.7	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #21	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3524.4	Standard non polar	33892256
Anisperimus,3TMS,isomer #21	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6464.6	Standard polar	33892256
Anisperimus,3TMS,isomer #22	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3821.4	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #22	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3586.9	Standard non polar	33892256
Anisperimus,3TMS,isomer #22	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6482.9	Standard polar	33892256
Anisperimus,3TMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3611.1	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3467.5	Standard non polar	33892256
Anisperimus,3TMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6731.9	Standard polar	33892256
Anisperimus,3TMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3857.8	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3466.7	Standard non polar	33892256
Anisperimus,3TMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6144.1	Standard polar	33892256
Anisperimus,3TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3899.4	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3514.2	Standard non polar	33892256
Anisperimus,3TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6160.9	Standard polar	33892256
Anisperimus,3TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3944.0	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3589.3	Standard non polar	33892256
Anisperimus,3TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6039.9	Standard polar	33892256
Anisperimus,3TMS,isomer #6	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4044.7	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #6	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3565.0	Standard non polar	33892256
Anisperimus,3TMS,isomer #6	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6198.4	Standard polar	33892256
Anisperimus,3TMS,isomer #7	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3742.2	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #7	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3445.9	Standard non polar	33892256
Anisperimus,3TMS,isomer #7	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6383.2	Standard polar	33892256
Anisperimus,3TMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3759.3	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3481.2	Standard non polar	33892256
Anisperimus,3TMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6402.5	Standard polar	33892256
Anisperimus,3TMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3940.8	Semi standard non polar	33892256
Anisperimus,3TMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3539.1	Standard non polar	33892256
Anisperimus,3TMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6440.5	Standard polar	33892256
Anisperimus,4TMS,isomer #1	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4064.9	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #1	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3376.8	Standard non polar	33892256
Anisperimus,4TMS,isomer #1	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5496.1	Standard polar	33892256
Anisperimus,4TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3794.1	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3444.6	Standard non polar	33892256
Anisperimus,4TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5916.4	Standard polar	33892256
Anisperimus,4TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3856.0	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3495.8	Standard non polar	33892256
Anisperimus,4TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5814.6	Standard polar	33892256
Anisperimus,4TMS,isomer #12	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3933.5	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #12	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3505.0	Standard non polar	33892256
Anisperimus,4TMS,isomer #12	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5952.9	Standard polar	33892256
Anisperimus,4TMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3887.3	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3549.7	Standard non polar	33892256
Anisperimus,4TMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5831.0	Standard polar	33892256
Anisperimus,4TMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3992.6	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3548.0	Standard non polar	33892256
Anisperimus,4TMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5970.8	Standard polar	33892256
Anisperimus,4TMS,isomer #15	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4048.1	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #15	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3624.2	Standard non polar	33892256
Anisperimus,4TMS,isomer #15	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5868.4	Standard polar	33892256
Anisperimus,4TMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3672.2	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3467.1	Standard non polar	33892256
Anisperimus,4TMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6194.9	Standard polar	33892256
Anisperimus,4TMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3860.9	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3529.5	Standard non polar	33892256
Anisperimus,4TMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6231.2	Standard polar	33892256
Anisperimus,4TMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3891.3	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3552.6	Standard non polar	33892256
Anisperimus,4TMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6251.6	Standard polar	33892256
Anisperimus,4TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3770.0	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3520.6	Standard non polar	33892256
Anisperimus,4TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6189.9	Standard polar	33892256
Anisperimus,4TMS,isomer #2	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3963.7	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #2	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3344.7	Standard non polar	33892256
Anisperimus,4TMS,isomer #2	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5394.8	Standard polar	33892256
Anisperimus,4TMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3888.8	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3332.1	Standard non polar	33892256
Anisperimus,4TMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5882.6	Standard polar	33892256
Anisperimus,4TMS,isomer #21	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3925.6	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #21	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3378.1	Standard non polar	33892256
Anisperimus,4TMS,isomer #21	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5903.3	Standard polar	33892256
Anisperimus,4TMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3931.0	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3543.4	Standard non polar	33892256
Anisperimus,4TMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5711.8	Standard polar	33892256
Anisperimus,4TMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3829.1	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3352.4	Standard non polar	33892256
Anisperimus,4TMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5840.1	Standard polar	33892256
Anisperimus,4TMS,isomer #24	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3834.7	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #24	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3495.3	Standard non polar	33892256
Anisperimus,4TMS,isomer #24	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5646.9	Standard polar	33892256
Anisperimus,4TMS,isomer #25	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3893.3	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #25	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3549.5	Standard non polar	33892256
Anisperimus,4TMS,isomer #25	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5666.9	Standard polar	33892256
Anisperimus,4TMS,isomer #26	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3920.6	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #26	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3691.1	Standard non polar	33892256
Anisperimus,4TMS,isomer #26	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5491.3	Standard polar	33892256
Anisperimus,4TMS,isomer #27	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3742.4	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #27	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3463.3	Standard non polar	33892256
Anisperimus,4TMS,isomer #27	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6369.2	Standard polar	33892256
Anisperimus,4TMS,isomer #28	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3813.2	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #28	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3510.3	Standard non polar	33892256
Anisperimus,4TMS,isomer #28	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6312.2	Standard polar	33892256
Anisperimus,4TMS,isomer #29	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3827.5	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #29	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3556.9	Standard non polar	33892256
Anisperimus,4TMS,isomer #29	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6330.5	Standard polar	33892256
Anisperimus,4TMS,isomer #3	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4008.9	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #3	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3392.9	Standard non polar	33892256
Anisperimus,4TMS,isomer #3	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5408.7	Standard polar	33892256
Anisperimus,4TMS,isomer #30	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3750.5	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #30	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3518.4	Standard non polar	33892256
Anisperimus,4TMS,isomer #30	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6282.7	Standard polar	33892256
Anisperimus,4TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4007.1	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3563.1	Standard non polar	33892256
Anisperimus,4TMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5099.9	Standard polar	33892256
Anisperimus,4TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4142.3	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3450.9	Standard non polar	33892256
Anisperimus,4TMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5437.7	Standard polar	33892256
Anisperimus,4TMS,isomer #6	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3859.3	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #6	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3436.0	Standard non polar	33892256
Anisperimus,4TMS,isomer #6	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5968.1	Standard polar	33892256
Anisperimus,4TMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3895.3	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3478.7	Standard non polar	33892256
Anisperimus,4TMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5987.7	Standard polar	33892256
Anisperimus,4TMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3939.9	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3540.3	Standard non polar	33892256
Anisperimus,4TMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5885.5	Standard polar	33892256
Anisperimus,4TMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4065.1	Semi standard non polar	33892256
Anisperimus,4TMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3552.8	Standard non polar	33892256
Anisperimus,4TMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6022.8	Standard polar	33892256
Anisperimus,5TMS,isomer #1	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3966.5	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #1	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3311.2	Standard non polar	33892256
Anisperimus,5TMS,isomer #1	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5131.1	Standard polar	33892256
Anisperimus,5TMS,isomer #10	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3969.0	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #10	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3674.2	Standard non polar	33892256
Anisperimus,5TMS,isomer #10	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4475.9	Standard polar	33892256
Anisperimus,5TMS,isomer #11	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4108.4	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #11	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3566.5	Standard non polar	33892256
Anisperimus,5TMS,isomer #11	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4810.5	Standard polar	33892256
Anisperimus,5TMS,isomer #12	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3797.6	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #12	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3439.1	Standard non polar	33892256
Anisperimus,5TMS,isomer #12	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5768.0	Standard polar	33892256
Anisperimus,5TMS,isomer #13	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3877.2	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #13	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3466.0	Standard non polar	33892256
Anisperimus,5TMS,isomer #13	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5685.4	Standard polar	33892256
Anisperimus,5TMS,isomer #14	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3987.8	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #14	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3498.2	Standard non polar	33892256
Anisperimus,5TMS,isomer #14	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5794.4	Standard polar	33892256
Anisperimus,5TMS,isomer #15	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3910.3	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #15	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3512.4	Standard non polar	33892256
Anisperimus,5TMS,isomer #15	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5704.4	Standard polar	33892256
Anisperimus,5TMS,isomer #16	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4032.6	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #16	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3530.4	Standard non polar	33892256
Anisperimus,5TMS,isomer #16	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5815.4	Standard polar	33892256
Anisperimus,5TMS,isomer #17	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4109.7	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #17	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3592.0	Standard non polar	33892256
Anisperimus,5TMS,isomer #17	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5732.4	Standard polar	33892256
Anisperimus,5TMS,isomer #18	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3799.7	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #18	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3481.7	Standard non polar	33892256
Anisperimus,5TMS,isomer #18	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5637.2	Standard polar	33892256
Anisperimus,5TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3899.7	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3500.0	Standard non polar	33892256
Anisperimus,5TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5747.9	Standard polar	33892256
Anisperimus,5TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4011.6	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3357.5	Standard non polar	33892256
Anisperimus,5TMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5156.4	Standard polar	33892256
Anisperimus,5TMS,isomer #20	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3983.6	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #20	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3542.6	Standard non polar	33892256
Anisperimus,5TMS,isomer #20	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5666.1	Standard polar	33892256
Anisperimus,5TMS,isomer #21	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4030.1	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #21	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3592.0	Standard non polar	33892256
Anisperimus,5TMS,isomer #21	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5684.4	Standard polar	33892256
Anisperimus,5TMS,isomer #22	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3816.9	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #22	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3550.9	Standard non polar	33892256
Anisperimus,5TMS,isomer #22	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6066.7	Standard polar	33892256
Anisperimus,5TMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3847.7	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3335.5	Standard non polar	33892256
Anisperimus,5TMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5633.3	Standard polar	33892256
Anisperimus,5TMS,isomer #24	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3856.2	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #24	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3446.9	Standard non polar	33892256
Anisperimus,5TMS,isomer #24	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5432.1	Standard polar	33892256
Anisperimus,5TMS,isomer #25	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3893.2	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #25	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3493.8	Standard non polar	33892256
Anisperimus,5TMS,isomer #25	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5457.3	Standard polar	33892256
Anisperimus,5TMS,isomer #26	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3925.5	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #26	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3633.4	Standard non polar	33892256
Anisperimus,5TMS,isomer #26	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5249.3	Standard polar	33892256
Anisperimus,5TMS,isomer #27	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3781.1	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #27	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3475.8	Standard non polar	33892256
Anisperimus,5TMS,isomer #27	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5387.1	Standard polar	33892256
Anisperimus,5TMS,isomer #28	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3813.7	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #28	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3620.4	Standard non polar	33892256
Anisperimus,5TMS,isomer #28	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5175.8	Standard polar	33892256
Anisperimus,5TMS,isomer #29	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3872.7	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #29	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3665.0	Standard non polar	33892256
Anisperimus,5TMS,isomer #29	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5203.2	Standard polar	33892256
Anisperimus,5TMS,isomer #3	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4008.4	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #3	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3476.2	Standard non polar	33892256
Anisperimus,5TMS,isomer #3	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4860.3	Standard polar	33892256
Anisperimus,5TMS,isomer #30	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3800.6	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #30	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3505.3	Standard non polar	33892256
Anisperimus,5TMS,isomer #30	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6149.1	Standard polar	33892256
Anisperimus,5TMS,isomer #4	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4161.9	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #4	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3409.5	Standard non polar	33892256
Anisperimus,5TMS,isomer #4	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5194.6	Standard polar	33892256
Anisperimus,5TMS,isomer #5	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3884.3	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #5	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3337.8	Standard non polar	33892256
Anisperimus,5TMS,isomer #5	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5049.7	Standard polar	33892256
Anisperimus,5TMS,isomer #6	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3884.3	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #6	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3452.3	Standard non polar	33892256
Anisperimus,5TMS,isomer #6	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4741.0	Standard polar	33892256
Anisperimus,5TMS,isomer #7	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4038.8	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #7	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3371.6	Standard non polar	33892256
Anisperimus,5TMS,isomer #7	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5083.5	Standard polar	33892256
Anisperimus,5TMS,isomer #8	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3949.5	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #8	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3504.9	Standard non polar	33892256
Anisperimus,5TMS,isomer #8	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4770.2	Standard polar	33892256
Anisperimus,5TMS,isomer #9	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4097.5	Semi standard non polar	33892256
Anisperimus,5TMS,isomer #9	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3417.3	Standard non polar	33892256
Anisperimus,5TMS,isomer #9	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5108.9	Standard polar	33892256
Anisperimus,6TMS,isomer #1	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3881.7	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #1	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3336.0	Standard non polar	33892256
Anisperimus,6TMS,isomer #1	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4840.4	Standard polar	33892256
Anisperimus,6TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3855.5	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3589.8	Standard non polar	33892256
Anisperimus,6TMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4195.9	Standard polar	33892256
Anisperimus,6TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4003.8	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3479.0	Standard non polar	33892256
Anisperimus,6TMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4508.3	Standard polar	33892256
Anisperimus,6TMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3905.9	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3633.8	Standard non polar	33892256
Anisperimus,6TMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4229.0	Standard polar	33892256
Anisperimus,6TMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4063.7	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3522.8	Standard non polar	33892256
Anisperimus,6TMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4540.7	Standard polar	33892256
Anisperimus,6TMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4093.9	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3690.7	Standard non polar	33892256
Anisperimus,6TMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4260.2	Standard polar	33892256
Anisperimus,6TMS,isomer #15	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3849.5	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #15	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3481.7	Standard non polar	33892256
Anisperimus,6TMS,isomer #15	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5511.7	Standard polar	33892256
Anisperimus,6TMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3968.3	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3515.3	Standard non polar	33892256
Anisperimus,6TMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5607.4	Standard polar	33892256
Anisperimus,6TMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4056.0	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3536.0	Standard non polar	33892256
Anisperimus,6TMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5539.9	Standard polar	33892256
Anisperimus,6TMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4082.7	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3577.4	Standard non polar	33892256
Anisperimus,6TMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5562.2	Standard polar	33892256
Anisperimus,6TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3965.7	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3539.5	Standard non polar	33892256
Anisperimus,6TMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5494.4	Standard polar	33892256
Anisperimus,6TMS,isomer #2	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3897.1	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #2	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3409.9	Standard non polar	33892256
Anisperimus,6TMS,isomer #2	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4562.0	Standard polar	33892256
Anisperimus,6TMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3844.1	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3450.3	Standard non polar	33892256
Anisperimus,6TMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5189.5	Standard polar	33892256
Anisperimus,6TMS,isomer #21	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3880.3	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #21	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3575.9	Standard non polar	33892256
Anisperimus,6TMS,isomer #21	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4976.7	Standard polar	33892256
Anisperimus,6TMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3890.4	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3615.3	Standard non polar	33892256
Anisperimus,6TMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5005.6	Standard polar	33892256
Anisperimus,6TMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3782.0	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3615.0	Standard non polar	33892256
Anisperimus,6TMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4933.7	Standard polar	33892256
Anisperimus,6TMS,isomer #3	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4076.8	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #3	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3373.1	Standard non polar	33892256
Anisperimus,6TMS,isomer #3	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4869.2	Standard polar	33892256
Anisperimus,6TMS,isomer #4	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3941.4	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #4	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3457.6	Standard non polar	33892256
Anisperimus,6TMS,isomer #4	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4591.9	Standard polar	33892256
Anisperimus,6TMS,isomer #5	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4114.1	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #5	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3415.7	Standard non polar	33892256
Anisperimus,6TMS,isomer #5	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4899.4	Standard polar	33892256
Anisperimus,6TMS,isomer #6	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3977.6	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #6	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3598.6	Standard non polar	33892256
Anisperimus,6TMS,isomer #6	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4315.3	Standard polar	33892256
Anisperimus,6TMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4155.7	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3513.9	Standard non polar	33892256
Anisperimus,6TMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4625.0	Standard polar	33892256
Anisperimus,6TMS,isomer #8	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3818.9	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #8	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3441.2	Standard non polar	33892256
Anisperimus,6TMS,isomer #8	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4480.6	Standard polar	33892256
Anisperimus,6TMS,isomer #9	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3986.2	Semi standard non polar	33892256
Anisperimus,6TMS,isomer #9	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3380.9	Standard non polar	33892256
Anisperimus,6TMS,isomer #9	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4789.4	Standard polar	33892256
Anisperimus,1TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N[Si](C)(C)C(C)(C)C	4082.4	Semi standard non polar	33892256
Anisperimus,1TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N[Si](C)(C)C(C)(C)C	3624.7	Standard non polar	33892256
Anisperimus,1TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N[Si](C)(C)C(C)(C)C	6650.9	Standard polar	33892256
Anisperimus,1TBDMS,isomer #2	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C	4114.5	Semi standard non polar	33892256
Anisperimus,1TBDMS,isomer #2	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C	3669.9	Standard non polar	33892256
Anisperimus,1TBDMS,isomer #2	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C	6815.2	Standard polar	33892256
Anisperimus,1TBDMS,isomer #3	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	4042.7	Semi standard non polar	33892256
Anisperimus,1TBDMS,isomer #3	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	3617.2	Standard non polar	33892256
Anisperimus,1TBDMS,isomer #3	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	7008.3	Standard polar	33892256
Anisperimus,1TBDMS,isomer #4	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	3960.0	Semi standard non polar	33892256
Anisperimus,1TBDMS,isomer #4	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	3583.4	Standard non polar	33892256
Anisperimus,1TBDMS,isomer #4	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	6957.7	Standard polar	33892256
Anisperimus,1TBDMS,isomer #5	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	3936.1	Semi standard non polar	33892256
Anisperimus,1TBDMS,isomer #5	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	3618.5	Standard non polar	33892256
Anisperimus,1TBDMS,isomer #5	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C	6968.4	Standard polar	33892256
Anisperimus,2TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4407.3	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3792.5	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6181.3	Standard polar	33892256
Anisperimus,2TBDMS,isomer #10	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4268.1	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #10	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3890.2	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #10	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6469.8	Standard polar	33892256
Anisperimus,2TBDMS,isomer #11	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4173.9	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #11	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3762.7	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #11	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6772.4	Standard polar	33892256
Anisperimus,2TBDMS,isomer #12	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4145.0	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #12	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3787.3	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #12	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6784.9	Standard polar	33892256
Anisperimus,2TBDMS,isomer #13	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4095.6	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #13	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3765.2	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #13	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6731.5	Standard polar	33892256
Anisperimus,2TBDMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4296.6	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3784.3	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6438.2	Standard polar	33892256
Anisperimus,2TBDMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4228.2	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3746.2	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6362.6	Standard polar	33892256
Anisperimus,2TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4216.8	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3770.9	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6372.1	Standard polar	33892256
Anisperimus,2TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4375.0	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3826.0	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6428.4	Standard polar	33892256
Anisperimus,2TBDMS,isomer #6	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4434.0	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #6	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3761.9	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #6	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6093.7	Standard polar	33892256
Anisperimus,2TBDMS,isomer #7	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4320.9	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #7	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3779.6	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #7	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6581.0	Standard polar	33892256
Anisperimus,2TBDMS,isomer #8	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4261.1	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #8	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3760.1	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #8	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6525.0	Standard polar	33892256
Anisperimus,2TBDMS,isomer #9	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4261.3	Semi standard non polar	33892256
Anisperimus,2TBDMS,isomer #9	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3793.4	Standard non polar	33892256
Anisperimus,2TBDMS,isomer #9	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6534.3	Standard polar	33892256
Anisperimus,3TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4712.3	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3849.5	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #1	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5367.3	Standard polar	33892256
Anisperimus,3TBDMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4359.2	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3902.6	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6157.7	Standard polar	33892256
Anisperimus,3TBDMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4511.0	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3968.0	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6189.6	Standard polar	33892256
Anisperimus,3TBDMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4517.0	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3975.1	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #12	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6203.3	Standard polar	33892256
Anisperimus,3TBDMS,isomer #13	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4635.2	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #13	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3831.5	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #13	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5820.4	Standard polar	33892256
Anisperimus,3TBDMS,isomer #14	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4576.7	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #14	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3820.2	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #14	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5750.2	Standard polar	33892256
Anisperimus,3TBDMS,isomer #15	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4589.5	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #15	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3843.5	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #15	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5767.2	Standard polar	33892256
Anisperimus,3TBDMS,isomer #16	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4549.4	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #16	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4028.0	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #16	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5597.7	Standard polar	33892256
Anisperimus,3TBDMS,isomer #17	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4454.2	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #17	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3891.0	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #17	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6354.5	Standard polar	33892256
Anisperimus,3TBDMS,isomer #18	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4449.2	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #18	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3906.9	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #18	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6367.3	Standard polar	33892256
Anisperimus,3TBDMS,isomer #19	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4484.8	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #19	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3996.6	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #19	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6298.4	Standard polar	33892256
Anisperimus,3TBDMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4594.5	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3897.1	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #2	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6003.9	Standard polar	33892256
Anisperimus,3TBDMS,isomer #20	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4393.3	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #20	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3903.6	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #20	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6311.6	Standard polar	33892256
Anisperimus,3TBDMS,isomer #21	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4415.2	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #21	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3993.7	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #21	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6245.2	Standard polar	33892256
Anisperimus,3TBDMS,isomer #22	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4428.8	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #22	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4015.1	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #22	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6256.6	Standard polar	33892256
Anisperimus,3TBDMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4293.2	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3928.8	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #23	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6578.1	Standard polar	33892256
Anisperimus,3TBDMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4519.4	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3882.0	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #3	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5926.5	Standard polar	33892256
Anisperimus,3TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4528.4	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3899.3	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5940.2	Standard polar	33892256
Anisperimus,3TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4546.2	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4004.2	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5836.5	Standard polar	33892256
Anisperimus,3TBDMS,isomer #6	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4675.0	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #6	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3977.2	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #6	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5965.3	Standard polar	33892256
Anisperimus,3TBDMS,isomer #7	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4453.3	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #7	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3916.8	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #7	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6212.5	Standard polar	33892256
Anisperimus,3TBDMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4434.6	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3927.4	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6226.4	Standard polar	33892256
Anisperimus,3TBDMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4604.2	Semi standard non polar	33892256
Anisperimus,3TBDMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3997.4	Standard non polar	33892256
Anisperimus,3TBDMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6255.7	Standard polar	33892256
Anisperimus,4TBDMS,isomer #1	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4892.5	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #1	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3890.8	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #1	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5138.2	Standard polar	33892256
Anisperimus,4TBDMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4606.9	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3997.9	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #10	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5729.7	Standard polar	33892256
Anisperimus,4TBDMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4659.4	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4072.8	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #11	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5652.3	Standard polar	33892256
Anisperimus,4TBDMS,isomer #12	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4774.0	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #12	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4066.0	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #12	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5747.2	Standard polar	33892256
Anisperimus,4TBDMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4672.6	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4092.0	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #13	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5671.7	Standard polar	33892256
Anisperimus,4TBDMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4790.7	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4081.4	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #14	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5766.2	Standard polar	33892256
Anisperimus,4TBDMS,isomer #15	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4828.7	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #15	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4168.8	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #15	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5689.6	Standard polar	33892256
Anisperimus,4TBDMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4564.7	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4050.6	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #16	CC(CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6067.3	Standard polar	33892256
Anisperimus,4TBDMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4734.4	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4120.2	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #17	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6085.5	Standard polar	33892256
Anisperimus,4TBDMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4730.8	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4127.8	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #18	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6101.8	Standard polar	33892256
Anisperimus,4TBDMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4623.1	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4109.6	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #19	CC(CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6039.1	Standard polar	33892256
Anisperimus,4TBDMS,isomer #2	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4807.6	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #2	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3901.5	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #2	CC(CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5035.6	Standard polar	33892256
Anisperimus,4TBDMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4736.0	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3905.3	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #20	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5527.6	Standard polar	33892256
Anisperimus,4TBDMS,isomer #21	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4727.3	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #21	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3920.1	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #21	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5550.1	Standard polar	33892256
Anisperimus,4TBDMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4722.0	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4083.5	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #22	CC(N)CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5384.9	Standard polar	33892256
Anisperimus,4TBDMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4658.5	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3926.9	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #23	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5479.0	Standard polar	33892256
Anisperimus,4TBDMS,isomer #24	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4633.6	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #24	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4097.8	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #24	CC(N)CCNCCCCN(C(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5314.2	Standard polar	33892256
Anisperimus,4TBDMS,isomer #25	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4660.1	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #25	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4116.7	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #25	CC(N)CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5336.6	Standard polar	33892256
Anisperimus,4TBDMS,isomer #26	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4669.2	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #26	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4254.3	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #26	CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5170.0	Standard polar	33892256
Anisperimus,4TBDMS,isomer #27	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4560.3	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #27	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4016.8	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #27	CC(N)CCN(CCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6188.9	Standard polar	33892256
Anisperimus,4TBDMS,isomer #28	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4606.7	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #28	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4083.3	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #28	CC(N)CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6140.0	Standard polar	33892256
Anisperimus,4TBDMS,isomer #29	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4606.9	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #29	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4099.0	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #29	CC(N)CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6155.4	Standard polar	33892256
Anisperimus,4TBDMS,isomer #3	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4816.1	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #3	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3916.5	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #3	CC(CCNCCCCNC(=O)OCC(=O)N(CCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5059.6	Standard polar	33892256
Anisperimus,4TBDMS,isomer #30	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4532.7	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #30	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4105.6	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #30	CC(N)CCNCCCCN(C(=O)OCC(=O)N(CCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6100.0	Standard polar	33892256
Anisperimus,4TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4796.0	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4118.1	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #4	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4855.2	Standard polar	33892256
Anisperimus,4TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4983.4	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4007.0	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #5	CC(CCNCCCCNC(=O)OCC(=O)NCCCCCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5089.6	Standard polar	33892256
Anisperimus,4TBDMS,isomer #6	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4703.1	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #6	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3983.3	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #6	CC(CCN(CCCCN(C(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5785.1	Standard polar	33892256
Anisperimus,4TBDMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4701.4	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3996.9	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #7	CC(CCN(CCCCNC(=O)OCC(=O)N(CCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5804.4	Standard polar	33892256
Anisperimus,4TBDMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4758.3	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4072.3	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #8	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5726.1	Standard polar	33892256
Anisperimus,4TBDMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4881.7	Semi standard non polar	33892256
Anisperimus,4TBDMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4073.4	Standard non polar	33892256
Anisperimus,4TBDMS,isomer #9	CC(CCN(CCCCNC(=O)OCC(=O)NCCCCCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5820.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Anisperimus GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9731000000-8e821234d8a1222ce428	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Anisperimus GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Anisperimus 10V, Positive-QTOF	splash10-0f79-0307900000-cda953666ed08aaa2467	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Anisperimus 20V, Positive-QTOF	splash10-0udr-2849800000-88ebfb881c0443ce415c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Anisperimus 40V, Positive-QTOF	splash10-0h2e-9410000000-6a25e56244295f47392d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Anisperimus 10V, Negative-QTOF	splash10-0udi-3211900000-09c7d7eff455985fa4b5	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Anisperimus 20V, Negative-QTOF	splash10-0zfu-8759600000-f13d19d4eaf518678785	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Anisperimus 40V, Negative-QTOF	splash10-0m39-1900000000-ead879797a4bbcb738c6	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

19913971

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

18448140

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Anisperimus (HMDB0248445)

MOL for HMDB0248445 (Anisperimus)

3D MOL for HMDB0248445 (Anisperimus)

3D SDF for HMDB0248445 (Anisperimus)

3D-SDF for HMDB0248445 (Anisperimus)

PDB for HMDB0248445 (Anisperimus)

3D PDB for HMDB0248445 (Anisperimus)

SMILES for HMDB0248445 (Anisperimus)

INCHI for HMDB0248445 (Anisperimus)

Structure for HMDB0248445 (Anisperimus)

3D Structure for HMDB0248445 (Anisperimus)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra