Hmdb loader

Showing metabocard for Ciraparantag (HMDB0250273)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:16:37 UTC
Update Date2021-09-26 23:01:38 UTC
HMDB IDHMDB0250273
Secondary Accession NumbersNone
Metabolite Identification
Common NameCiraparantag
DescriptionCiraparantag belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. Based on a literature review a significant number of articles have been published on Ciraparantag. This compound has been identified in human blood as reported by (PMID: 31557052 ). Ciraparantag is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Ciraparantag 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
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0250273 (Ciraparantag)


  Mrv1652309112109162D          

 36 36  0  0  0  0            999 V2000
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    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
  1  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  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 28 36  1  0  0  0  0
M  END
Download

3D MOL for HMDB0250273 (Ciraparantag)

HMDB0250273
     RDKit          3D
Ciraparantag
 84 84  0  0  0  0  0  0  0  0999 V2000
   -8.1476    2.0377    1.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5687    0.6782    1.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8742    0.3120    1.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7297   -0.2132    0.8477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0548   -1.6200    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2299   -2.3494   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2988   -1.8895   -1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8736   -0.4918   -1.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0637   -0.3238   -3.3866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4013   -0.2917   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9574   -0.3888   -0.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961   -0.0038   -2.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    0.1784   -2.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054    1.3227   -1.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    1.5087   -1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893    0.3997   -0.6948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745    0.1019    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.5988    1.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -0.4840    1.0854 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995   -1.0718    1.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -0.4941    3.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7987    0.9123    3.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.3608    2.9697 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    1.4588    1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435    1.1594    0.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    1.9600    1.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3977    2.4999    2.6416 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7832    0.9045    0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    0.3398   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690   -0.7221   -0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5481   -0.1112   -1.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6505   -0.7729   -1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070   -2.1914   -1.1479 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9045   -0.1555   -1.4841 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305   -0.7926   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738    0.2556   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1539    2.6124    2.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8101    2.4693    0.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1251    0.2681    2.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5854    0.0861    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9050   -2.0364    1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1460   -1.6746    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1700   -2.3289    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5175   -3.4208   -0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3418   -2.0026   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6789   -2.5631   -2.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4783    0.2944   -1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5550   -1.0547   -3.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8027    0.6483   -3.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8437    0.0781   -3.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444    0.3389   -3.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.7716   -2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342    1.3420   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1311    2.2485   -2.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    2.4046   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    1.6971   -2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    1.0647    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212   -0.5153    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -0.1795    2.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3288   -1.6847    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1581   -1.2327    1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265   -2.1496    2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195   -1.1147    3.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5240   -0.7449    4.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    1.5886    3.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    1.1928    4.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7563    1.6767    3.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    2.7887    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6721    3.5004    2.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    1.8971    3.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079    0.0398    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7842    1.3865    0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.2195   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1032    1.1065   -1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8456   -1.0957   -1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932   -1.5782   -0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   -2.6236   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288   -2.8048   -1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4256   -0.3497   -2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3223    0.4895   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166   -1.7870   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -0.8457   -0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568    1.1972   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -0.0621   -2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 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  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 19 35  1  0
 35 36  1  0
 36 16  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 23 67  1  0
 26 68  1  0
 27 69  1  0
 27 70  1  0
 28 71  1  0
 28 72  1  0
 29 73  1  0
 29 74  1  0
 30 75  1  0
 30 76  1  0
 33 77  1  0
 33 78  1  0
 34 79  1  0
 34 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  0
 36 84  1  0
M  END
Download

3D SDF for HMDB0250273 (Ciraparantag)


  Mrv1652309112109162D          

 36 36  0  0  0  0            999 V2000
   -2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    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
  1  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  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 28 36  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250273

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)

> <INCHI_KEY>
HRDUUSCYRPOMSO-UHFFFAOYSA-N

> <FORMULA>
C22H48N12O2

> <MOLECULAR_WEIGHT>
512.708

> <EXACT_MASS>
512.402318834

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
59.88298394201315

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-N-{3-[4-(3-{2-amino-5-[(diaminomethylidene)amino]pentanamido}propyl)piperazin-1-yl]propyl}-5-[(diaminomethylidene)amino]pentanamide

> <ALOGPS_LOGP>
-1.45

> <JCHEM_LOGP>
-4.438143964

> <ALOGPS_LOGS>
-3.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
5

> <JCHEM_PKA_STRONGEST_BASIC>
11.737848236709386

> <JCHEM_POLAR_SURFACE_AREA>
245.52

> <JCHEM_REFRACTIVITY>
142.5294

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-N-{3-[4-(3-{2-amino-5-[(diaminomethylidene)amino]pentanamido}propyl)piperazin-1-yl]propyl}-5-[(diaminomethylidene)amino]pentanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0250273 (Ciraparantag)

HMDB0250273
     RDKit          3D
Ciraparantag
 84 84  0  0  0  0  0  0  0  0999 V2000
   -8.1476    2.0377    1.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5687    0.6782    1.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8742    0.3120    1.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7297   -0.2132    0.8477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0548   -1.6200    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2299   -2.3494   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2988   -1.8895   -1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8736   -0.4918   -1.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0637   -0.3238   -3.3866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4013   -0.2917   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9574   -0.3888   -0.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961   -0.0038   -2.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    0.1784   -2.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054    1.3227   -1.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    1.5087   -1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893    0.3997   -0.6948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745    0.1019    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.5988    1.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -0.4840    1.0854 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995   -1.0718    1.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -0.4941    3.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7987    0.9123    3.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.3608    2.9697 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    1.4588    1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435    1.1594    0.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    1.9600    1.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3977    2.4999    2.6416 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7832    0.9045    0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    0.3398   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690   -0.7221   -0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5481   -0.1112   -1.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6505   -0.7729   -1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6070   -2.1914   -1.1479 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9045   -0.1555   -1.4841 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305   -0.7926   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738    0.2556   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1539    2.6124    2.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8101    2.4693    0.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1251    0.2681    2.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5854    0.0861    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9050   -2.0364    1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1460   -1.6746    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1700   -2.3289    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5175   -3.4208   -0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3418   -2.0026   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6789   -2.5631   -2.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4783    0.2944   -1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5550   -1.0547   -3.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8027    0.6483   -3.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8437    0.0781   -3.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444    0.3389   -3.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.7716   -2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342    1.3420   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1311    2.2485   -2.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    2.4046   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    1.6971   -2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    1.0647    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212   -0.5153    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -0.1795    2.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3288   -1.6847    1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1581   -1.2327    1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265   -2.1496    2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2195   -1.1147    3.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5240   -0.7449    4.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    1.5886    3.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    1.1928    4.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7563    1.6767    3.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8468    2.7887    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6721    3.5004    2.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    1.8971    3.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079    0.0398    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7842    1.3865    0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.2195   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1032    1.1065   -1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8456   -1.0957   -1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932   -1.5782   -0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   -2.6236   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288   -2.8048   -1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4256   -0.3497   -2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3223    0.4895   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166   -1.7870   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764   -0.8457   -0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568    1.1972   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -0.0621   -2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 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  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 19 35  1  0
 35 36  1  0
 36 16  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 20 61  1  0
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 23 67  1  0
 26 68  1  0
 27 69  1  0
 27 70  1  0
 28 71  1  0
 28 72  1  0
 29 73  1  0
 29 74  1  0
 30 75  1  0
 30 76  1  0
 33 77  1  0
 33 78  1  0
 34 79  1  0
 34 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  0
 36 84  1  0
M  END
Download

PDB for HMDB0250273 (Ciraparantag)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -2.667   3.080   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335   3.080   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -5.335   4.620   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -6.668   5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.336   5.390   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0     -10.669   4.620   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0     -12.003   5.390   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0     -12.003   6.930   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0     -13.337   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -14.670   5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -16.004   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -17.338   5.390   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0     -18.672   4.620   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0     -20.005   5.390   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0     -21.339   4.620   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0     -20.005   6.930   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0     -13.337   3.080   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.000   3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       2.667   3.080   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.001   0.770   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      10.669   3.080   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      13.337   3.080   0.000  0.00  0.00           N+0
HETATM   35  N   UNK     0      12.003   0.770   0.000  0.00  0.00           N+0
HETATM   36  N   UNK     0       5.335   4.620   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    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   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   13                                                            
CONECT   22    3   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   36                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   28                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   72    0
END
Download

3D PDB for HMDB0250273 (Ciraparantag)

COMPND    HMDB0250273
HETATM    1  N1  UNL     1      -8.148   2.038   1.326  1.00  0.00           N  
HETATM    2  C1  UNL     1      -8.569   0.678   1.266  1.00  0.00           C  
HETATM    3  N2  UNL     1      -9.874   0.312   1.656  1.00  0.00           N  
HETATM    4  N3  UNL     1      -7.730  -0.213   0.848  1.00  0.00           N  
HETATM    5  C2  UNL     1      -8.055  -1.620   0.748  1.00  0.00           C  
HETATM    6  C3  UNL     1      -7.230  -2.349  -0.245  1.00  0.00           C  
HETATM    7  C4  UNL     1      -7.299  -1.890  -1.637  1.00  0.00           C  
HETATM    8  C5  UNL     1      -6.874  -0.492  -1.930  1.00  0.00           C  
HETATM    9  N4  UNL     1      -7.064  -0.324  -3.387  1.00  0.00           N  
HETATM   10  C6  UNL     1      -5.401  -0.292  -1.738  1.00  0.00           C  
HETATM   11  O1  UNL     1      -4.957  -0.389  -0.573  1.00  0.00           O  
HETATM   12  N5  UNL     1      -4.496  -0.004  -2.776  1.00  0.00           N  
HETATM   13  C7  UNL     1      -3.098   0.178  -2.508  1.00  0.00           C  
HETATM   14  C8  UNL     1      -2.805   1.323  -1.574  1.00  0.00           C  
HETATM   15  C9  UNL     1      -1.358   1.509  -1.296  1.00  0.00           C  
HETATM   16  N6  UNL     1      -0.689   0.400  -0.695  1.00  0.00           N  
HETATM   17  C10 UNL     1      -1.074   0.102   0.627  1.00  0.00           C  
HETATM   18  C11 UNL     1      -0.114  -0.599   1.507  1.00  0.00           C  
HETATM   19  N7  UNL     1       1.258  -0.484   1.085  1.00  0.00           N  
HETATM   20  C12 UNL     1       2.200  -1.072   1.961  1.00  0.00           C  
HETATM   21  C13 UNL     1       2.383  -0.494   3.294  1.00  0.00           C  
HETATM   22  C14 UNL     1       2.799   0.912   3.467  1.00  0.00           C  
HETATM   23  N8  UNL     1       4.042   1.361   2.970  1.00  0.00           N  
HETATM   24  C15 UNL     1       4.500   1.459   1.652  1.00  0.00           C  
HETATM   25  O2  UNL     1       3.843   1.159   0.630  1.00  0.00           O  
HETATM   26  C16 UNL     1       5.889   1.960   1.380  1.00  0.00           C  
HETATM   27  N9  UNL     1       6.398   2.500   2.642  1.00  0.00           N  
HETATM   28  C17 UNL     1       6.783   0.904   0.842  1.00  0.00           C  
HETATM   29  C18 UNL     1       6.282   0.340  -0.454  1.00  0.00           C  
HETATM   30  C19 UNL     1       7.269  -0.722  -0.981  1.00  0.00           C  
HETATM   31  N10 UNL     1       8.548  -0.111  -1.193  1.00  0.00           N  
HETATM   32  C20 UNL     1       9.650  -0.773  -1.274  1.00  0.00           C  
HETATM   33  N11 UNL     1       9.607  -2.191  -1.148  1.00  0.00           N  
HETATM   34  N12 UNL     1      10.905  -0.156  -1.484  1.00  0.00           N  
HETATM   35  C21 UNL     1       1.431  -0.793  -0.305  1.00  0.00           C  
HETATM   36  C22 UNL     1       0.674   0.256  -1.073  1.00  0.00           C  
HETATM   37  H1  UNL     1      -8.154   2.612   2.175  1.00  0.00           H  
HETATM   38  H2  UNL     1      -7.810   2.469   0.436  1.00  0.00           H  
HETATM   39  H3  UNL     1     -10.125   0.268   2.655  1.00  0.00           H  
HETATM   40  H4  UNL     1     -10.585   0.086   0.944  1.00  0.00           H  
HETATM   41  H5  UNL     1      -7.905  -2.036   1.776  1.00  0.00           H  
HETATM   42  H6  UNL     1      -9.146  -1.675   0.572  1.00  0.00           H  
HETATM   43  H7  UNL     1      -6.170  -2.329   0.123  1.00  0.00           H  
HETATM   44  H8  UNL     1      -7.517  -3.421  -0.212  1.00  0.00           H  
HETATM   45  H9  UNL     1      -8.342  -2.003  -2.056  1.00  0.00           H  
HETATM   46  H10 UNL     1      -6.679  -2.563  -2.281  1.00  0.00           H  
HETATM   47  H11 UNL     1      -7.478   0.294  -1.471  1.00  0.00           H  
HETATM   48  H12 UNL     1      -6.555  -1.055  -3.913  1.00  0.00           H  
HETATM   49  H13 UNL     1      -6.803   0.648  -3.664  1.00  0.00           H  
HETATM   50  H14 UNL     1      -4.844   0.078  -3.751  1.00  0.00           H  
HETATM   51  H15 UNL     1      -2.544   0.339  -3.450  1.00  0.00           H  
HETATM   52  H16 UNL     1      -2.751  -0.772  -2.000  1.00  0.00           H  
HETATM   53  H17 UNL     1      -3.434   1.342  -0.663  1.00  0.00           H  
HETATM   54  H18 UNL     1      -3.131   2.249  -2.140  1.00  0.00           H  
HETATM   55  H19 UNL     1      -1.213   2.405  -0.689  1.00  0.00           H  
HETATM   56  H20 UNL     1      -0.850   1.697  -2.287  1.00  0.00           H  
HETATM   57  H21 UNL     1      -1.417   1.065   1.113  1.00  0.00           H  
HETATM   58  H22 UNL     1      -2.021  -0.515   0.584  1.00  0.00           H  
HETATM   59  H23 UNL     1      -0.186  -0.179   2.531  1.00  0.00           H  
HETATM   60  H24 UNL     1      -0.329  -1.685   1.603  1.00  0.00           H  
HETATM   61  H25 UNL     1       3.158  -1.233   1.454  1.00  0.00           H  
HETATM   62  H26 UNL     1       1.827  -2.150   2.130  1.00  0.00           H  
HETATM   63  H27 UNL     1       3.219  -1.115   3.785  1.00  0.00           H  
HETATM   64  H28 UNL     1       1.524  -0.745   4.002  1.00  0.00           H  
HETATM   65  H29 UNL     1       1.956   1.589   3.038  1.00  0.00           H  
HETATM   66  H30 UNL     1       2.749   1.193   4.581  1.00  0.00           H  
HETATM   67  H31 UNL     1       4.756   1.677   3.714  1.00  0.00           H  
HETATM   68  H32 UNL     1       5.847   2.789   0.656  1.00  0.00           H  
HETATM   69  H33 UNL     1       6.672   3.500   2.534  1.00  0.00           H  
HETATM   70  H34 UNL     1       7.114   1.897   3.060  1.00  0.00           H  
HETATM   71  H35 UNL     1       6.908   0.040   1.548  1.00  0.00           H  
HETATM   72  H36 UNL     1       7.784   1.387   0.674  1.00  0.00           H  
HETATM   73  H37 UNL     1       5.313  -0.220  -0.339  1.00  0.00           H  
HETATM   74  H38 UNL     1       6.103   1.107  -1.231  1.00  0.00           H  
HETATM   75  H39 UNL     1       6.846  -1.096  -1.940  1.00  0.00           H  
HETATM   76  H40 UNL     1       7.293  -1.578  -0.287  1.00  0.00           H  
HETATM   77  H41 UNL     1       9.759  -2.624  -0.202  1.00  0.00           H  
HETATM   78  H42 UNL     1       9.429  -2.805  -1.969  1.00  0.00           H  
HETATM   79  H43 UNL     1      11.426  -0.350  -2.358  1.00  0.00           H  
HETATM   80  H44 UNL     1      11.322   0.489  -0.788  1.00  0.00           H  
HETATM   81  H45 UNL     1       0.917  -1.787  -0.465  1.00  0.00           H  
HETATM   82  H46 UNL     1       2.476  -0.846  -0.560  1.00  0.00           H  
HETATM   83  H47 UNL     1       1.257   1.197  -1.026  1.00  0.00           H  
HETATM   84  H48 UNL     1       0.710  -0.062  -2.151  1.00  0.00           H  
CONECT    1    2   37   38
CONECT    2    3    4    4
CONECT    3   39   40
CONECT    4    5
CONECT    5    6   41   42
CONECT    6    7   43   44
CONECT    7    8   45   46
CONECT    8    9   10   47
CONECT    9   48   49
CONECT   10   11   11   12
CONECT   12   13   50
CONECT   13   14   51   52
CONECT   14   15   53   54
CONECT   15   16   55   56
CONECT   16   17   36
CONECT   17   18   57   58
CONECT   18   19   59   60
CONECT   19   20   35
CONECT   20   21   61   62
CONECT   21   22   63   64
CONECT   22   23   65   66
CONECT   23   24   67
CONECT   24   25   25   26
CONECT   26   27   28   68
CONECT   27   69   70
CONECT   28   29   71   72
CONECT   29   30   73   74
CONECT   30   31   75   76
CONECT   31   32   32
CONECT   32   33   34
CONECT   33   77   78
CONECT   34   79   80
CONECT   35   36   81   82
CONECT   36   83   84
END
Download

SMILES for HMDB0250273 (Ciraparantag)

NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1
Download

INCHI for HMDB0250273 (Ciraparantag)

InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)
Download
View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC22H48N12O2
Average Molecular Weight512.708
Monoisotopic Molecular Weight512.402318834
IUPAC Name2-amino-N-{3-[4-(3-{2-amino-5-[(diaminomethylidene)amino]pentanamido}propyl)piperazin-1-yl]propyl}-5-[(diaminomethylidene)amino]pentanamide
Traditional Name2-amino-N-{3-[4-(3-{2-amino-5-[(diaminomethylidene)amino]pentanamido}propyl)piperazin-1-yl]propyl}-5-[(diaminomethylidene)amino]pentanamide
CAS Registry NumberNot Available
SMILES
NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1
InChI Identifier
InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)
InChI KeyHRDUUSCYRPOMSO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acid amides
Alternative Parents
Substituents
  • Alpha-amino acid amide
  • N-alkylpiperazine
  • 1,4-diazinane
  • Fatty amide
  • N-acyl-amine
  • Piperazine
  • Fatty acyl
  • Carboxamide group
  • Guanidine
  • Secondary carboxylic acid amide
  • Tertiary amine
  • Tertiary aliphatic amine
  • Azacycle
  • Carboximidamide
  • Organoheterocyclic compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Carbonyl group
  • Amine
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxide
  • Organic oxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.4ALOGPS
logP-4.4ChemAxon
logS-3.4ALOGPS
pKa (Strongest Basic)11.74ChemAxon
Physiological Charge5ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area245.52 ŲChemAxon
Rotatable Bond Count18ChemAxon
Refractivity142.53 m³·mol⁻¹ChemAxon
Polarizability59.88 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+217.91930932474
DeepCCS[M-H]-215.56130932474
DeepCCS[M-2H]-249.79530932474
DeepCCS[M+Na]+225.02330932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 202210.2766 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20227.94 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid329.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid252.7 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid73.9 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid206.0 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid67.4 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid382.3 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid307.6 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)1799.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid607.8 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid72.0 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid556.8 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid243.8 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid399.2 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate1708.1 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA1441.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water626.7 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CiraparantagNC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC13766.5Standard polar33892256
CiraparantagNC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14177.0Standard non polar33892256
CiraparantagNC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC15238.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ciraparantag,1TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14924.2Semi standard non polar33892256
Ciraparantag,1TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14425.6Standard non polar33892256
Ciraparantag,1TMS,isomer #1C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC19910.8Standard polar33892256
Ciraparantag,1TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC15018.1Semi standard non polar33892256
Ciraparantag,1TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14396.1Standard non polar33892256
Ciraparantag,1TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC110112.4Standard polar33892256
Ciraparantag,1TMS,isomer #3C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N4781.6Semi standard non polar33892256
Ciraparantag,1TMS,isomer #3C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N4351.7Standard non polar33892256
Ciraparantag,1TMS,isomer #3C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N10052.1Standard polar33892256
Ciraparantag,2TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14953.1Semi standard non polar33892256
Ciraparantag,2TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14398.2Standard non polar33892256
Ciraparantag,2TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC19764.4Standard polar33892256
Ciraparantag,2TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4858.1Semi standard non polar33892256
Ciraparantag,2TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4350.3Standard non polar33892256
Ciraparantag,2TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C9917.3Standard polar33892256
Ciraparantag,2TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC14858.0Semi standard non polar33892256
Ciraparantag,2TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC14350.6Standard non polar33892256
Ciraparantag,2TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC19917.3Standard polar33892256
Ciraparantag,2TMS,isomer #12C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4634.0Semi standard non polar33892256
Ciraparantag,2TMS,isomer #12C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4366.5Standard non polar33892256
Ciraparantag,2TMS,isomer #12C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9899.1Standard polar33892256
Ciraparantag,2TMS,isomer #2C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC14881.7Semi standard non polar33892256
Ciraparantag,2TMS,isomer #2C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC14437.3Standard non polar33892256
Ciraparantag,2TMS,isomer #2C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC19585.7Standard polar33892256
Ciraparantag,2TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC14953.7Semi standard non polar33892256
Ciraparantag,2TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC14398.3Standard non polar33892256
Ciraparantag,2TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC19764.2Standard polar33892256
Ciraparantag,2TMS,isomer #4C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4932.2Semi standard non polar33892256
Ciraparantag,2TMS,isomer #4C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4466.5Standard non polar33892256
Ciraparantag,2TMS,isomer #4C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C9853.5Standard polar33892256
Ciraparantag,2TMS,isomer #5C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4784.3Semi standard non polar33892256
Ciraparantag,2TMS,isomer #5C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4394.7Standard non polar33892256
Ciraparantag,2TMS,isomer #5C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C9799.9Standard polar33892256
Ciraparantag,2TMS,isomer #6C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC14757.6Semi standard non polar33892256
Ciraparantag,2TMS,isomer #6C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC14395.8Standard non polar33892256
Ciraparantag,2TMS,isomer #6C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC19750.2Standard polar33892256
Ciraparantag,2TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C5036.3Semi standard non polar33892256
Ciraparantag,2TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C4271.4Standard non polar33892256
Ciraparantag,2TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C9864.8Standard polar33892256
Ciraparantag,2TMS,isomer #8C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)CC15036.9Semi standard non polar33892256
Ciraparantag,2TMS,isomer #8C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)CC14361.5Standard non polar33892256
Ciraparantag,2TMS,isomer #8C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C)CC19952.6Standard polar33892256
Ciraparantag,2TMS,isomer #9C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4980.6Semi standard non polar33892256
Ciraparantag,2TMS,isomer #9C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4419.0Standard non polar33892256
Ciraparantag,2TMS,isomer #9C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C9999.8Standard polar33892256
Ciraparantag,3TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C5034.7Semi standard non polar33892256
Ciraparantag,3TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C4245.2Standard non polar33892256
Ciraparantag,3TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C9488.5Standard polar33892256
Ciraparantag,3TMS,isomer #10C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C5035.0Semi standard non polar33892256
Ciraparantag,3TMS,isomer #10C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C4245.9Standard non polar33892256
Ciraparantag,3TMS,isomer #10C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C9488.0Standard polar33892256
Ciraparantag,3TMS,isomer #11C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC14943.4Semi standard non polar33892256
Ciraparantag,3TMS,isomer #11C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC14429.7Standard non polar33892256
Ciraparantag,3TMS,isomer #11C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC19647.9Standard polar33892256
Ciraparantag,3TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C4850.2Semi standard non polar33892256
Ciraparantag,3TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C4370.9Standard non polar33892256
Ciraparantag,3TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C9590.5Standard polar33892256
Ciraparantag,3TMS,isomer #13C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC14894.1Semi standard non polar33892256
Ciraparantag,3TMS,isomer #13C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC14358.5Standard non polar33892256
Ciraparantag,3TMS,isomer #13C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC19644.8Standard polar33892256
Ciraparantag,3TMS,isomer #14C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC15002.9Semi standard non polar33892256
Ciraparantag,3TMS,isomer #14C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC14438.6Standard non polar33892256
Ciraparantag,3TMS,isomer #14C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC19693.5Standard polar33892256
Ciraparantag,3TMS,isomer #15C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C4824.7Semi standard non polar33892256
Ciraparantag,3TMS,isomer #15C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C4459.7Standard non polar33892256
Ciraparantag,3TMS,isomer #15C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C9753.7Standard polar33892256
Ciraparantag,3TMS,isomer #16C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4801.5Semi standard non polar33892256
Ciraparantag,3TMS,isomer #16C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4468.8Standard non polar33892256
Ciraparantag,3TMS,isomer #16C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9701.0Standard polar33892256
Ciraparantag,3TMS,isomer #17C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C4675.2Semi standard non polar33892256
Ciraparantag,3TMS,isomer #17C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C4387.2Standard non polar33892256
Ciraparantag,3TMS,isomer #17C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C9657.3Standard polar33892256
Ciraparantag,3TMS,isomer #18C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC15106.4Semi standard non polar33892256
Ciraparantag,3TMS,isomer #18C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC14210.3Standard non polar33892256
Ciraparantag,3TMS,isomer #18C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC19671.6Standard polar33892256
Ciraparantag,3TMS,isomer #19C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C5016.3Semi standard non polar33892256
Ciraparantag,3TMS,isomer #19C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C4350.9Standard non polar33892256
Ciraparantag,3TMS,isomer #19C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C9675.4Standard polar33892256
Ciraparantag,3TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC14951.8Semi standard non polar33892256
Ciraparantag,3TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC14407.5Standard non polar33892256
Ciraparantag,3TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC19408.1Standard polar33892256
Ciraparantag,3TMS,isomer #20C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C4935.6Semi standard non polar33892256
Ciraparantag,3TMS,isomer #20C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C4212.8Standard non polar33892256
Ciraparantag,3TMS,isomer #20C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C9652.2Standard polar33892256
Ciraparantag,3TMS,isomer #21C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C4937.0Semi standard non polar33892256
Ciraparantag,3TMS,isomer #21C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C4213.9Standard non polar33892256
Ciraparantag,3TMS,isomer #21C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C9652.2Standard polar33892256
Ciraparantag,3TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC15049.0Semi standard non polar33892256
Ciraparantag,3TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC14377.8Standard non polar33892256
Ciraparantag,3TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC19823.3Standard polar33892256
Ciraparantag,3TMS,isomer #23C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC14951.0Semi standard non polar33892256
Ciraparantag,3TMS,isomer #23C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC14324.3Standard non polar33892256
Ciraparantag,3TMS,isomer #23C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC19755.0Standard polar33892256
Ciraparantag,3TMS,isomer #24C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C4847.2Semi standard non polar33892256
Ciraparantag,3TMS,isomer #24C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C4401.0Standard non polar33892256
Ciraparantag,3TMS,isomer #24C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C9819.2Standard polar33892256
Ciraparantag,3TMS,isomer #25C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4846.6Semi standard non polar33892256
Ciraparantag,3TMS,isomer #25C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4399.7Standard non polar33892256
Ciraparantag,3TMS,isomer #25C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9819.2Standard polar33892256
Ciraparantag,3TMS,isomer #26C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C4728.9Semi standard non polar33892256
Ciraparantag,3TMS,isomer #26C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C4337.7Standard non polar33892256
Ciraparantag,3TMS,isomer #26C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C9759.6Standard polar33892256
Ciraparantag,3TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC15007.5Semi standard non polar33892256
Ciraparantag,3TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC14368.6Standard non polar33892256
Ciraparantag,3TMS,isomer #3C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC19586.3Standard polar33892256
Ciraparantag,3TMS,isomer #4C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14942.0Semi standard non polar33892256
Ciraparantag,3TMS,isomer #4C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14429.5Standard non polar33892256
Ciraparantag,3TMS,isomer #4C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC19648.3Standard polar33892256
Ciraparantag,3TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C5003.3Semi standard non polar33892256
Ciraparantag,3TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C4438.7Standard non polar33892256
Ciraparantag,3TMS,isomer #5C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C9693.7Standard polar33892256
Ciraparantag,3TMS,isomer #6C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4894.1Semi standard non polar33892256
Ciraparantag,3TMS,isomer #6C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4358.6Standard non polar33892256
Ciraparantag,3TMS,isomer #6C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C9644.9Standard polar33892256
Ciraparantag,3TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC14850.9Semi standard non polar33892256
Ciraparantag,3TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC14370.9Standard non polar33892256
Ciraparantag,3TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC19590.6Standard polar33892256
Ciraparantag,3TMS,isomer #8C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC14914.8Semi standard non polar33892256
Ciraparantag,3TMS,isomer #8C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC14491.8Standard non polar33892256
Ciraparantag,3TMS,isomer #8C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC19528.7Standard polar33892256
Ciraparantag,3TMS,isomer #9C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC14809.5Semi standard non polar33892256
Ciraparantag,3TMS,isomer #9C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC14409.0Standard non polar33892256
Ciraparantag,3TMS,isomer #9C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC19483.5Standard polar33892256
Ciraparantag,4TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C5061.1Semi standard non polar33892256
Ciraparantag,4TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C4251.8Standard non polar33892256
Ciraparantag,4TMS,isomer #1C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N[Si](C)(C)C9018.7Standard polar33892256
Ciraparantag,4TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C4888.9Semi standard non polar33892256
Ciraparantag,4TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C4369.3Standard non polar33892256
Ciraparantag,4TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C9238.0Standard polar33892256
Ciraparantag,4TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC14888.8Semi standard non polar33892256
Ciraparantag,4TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC14369.0Standard non polar33892256
Ciraparantag,4TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC19238.0Standard polar33892256
Ciraparantag,4TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC14980.1Semi standard non polar33892256
Ciraparantag,4TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC14443.3Standard non polar33892256
Ciraparantag,4TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC19281.5Standard polar33892256
Ciraparantag,4TMS,isomer #13C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC15114.2Semi standard non polar33892256
Ciraparantag,4TMS,isomer #13C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC14209.7Standard non polar33892256
Ciraparantag,4TMS,isomer #13C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC19205.0Standard polar33892256
Ciraparantag,4TMS,isomer #14C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC15005.9Semi standard non polar33892256
Ciraparantag,4TMS,isomer #14C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC14373.5Standard non polar33892256
Ciraparantag,4TMS,isomer #14C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC19398.5Standard polar33892256
Ciraparantag,4TMS,isomer #15C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C4932.5Semi standard non polar33892256
Ciraparantag,4TMS,isomer #15C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C4343.8Standard non polar33892256
Ciraparantag,4TMS,isomer #15C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C9348.0Standard polar33892256
Ciraparantag,4TMS,isomer #16C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14977.0Semi standard non polar33892256
Ciraparantag,4TMS,isomer #16C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14314.4Standard non polar33892256
Ciraparantag,4TMS,isomer #16C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC19403.0Standard polar33892256
Ciraparantag,4TMS,isomer #17C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC15004.7Semi standard non polar33892256
Ciraparantag,4TMS,isomer #17C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC14373.2Standard non polar33892256
Ciraparantag,4TMS,isomer #17C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC19398.7Standard polar33892256
Ciraparantag,4TMS,isomer #18C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC15076.3Semi standard non polar33892256
Ciraparantag,4TMS,isomer #18C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14384.2Standard non polar33892256
Ciraparantag,4TMS,isomer #18C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC19450.4Standard polar33892256
Ciraparantag,4TMS,isomer #19C[Si](C)(C)N(C(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5022.2Semi standard non polar33892256
Ciraparantag,4TMS,isomer #19C[Si](C)(C)N(C(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4473.1Standard non polar33892256
Ciraparantag,4TMS,isomer #19C[Si](C)(C)N(C(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C9534.6Standard polar33892256
Ciraparantag,4TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC15113.6Semi standard non polar33892256
Ciraparantag,4TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC14209.8Standard non polar33892256
Ciraparantag,4TMS,isomer #2C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC19205.3Standard polar33892256
Ciraparantag,4TMS,isomer #20C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4875.5Semi standard non polar33892256
Ciraparantag,4TMS,isomer #20C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C4383.7Standard non polar33892256
Ciraparantag,4TMS,isomer #20C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C9488.8Standard polar33892256
Ciraparantag,4TMS,isomer #21C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC14844.3Semi standard non polar33892256
Ciraparantag,4TMS,isomer #21C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC14405.5Standard non polar33892256
Ciraparantag,4TMS,isomer #21C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC19438.4Standard polar33892256
Ciraparantag,4TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4940.5Semi standard non polar33892256
Ciraparantag,4TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4405.4Standard non polar33892256
Ciraparantag,4TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C9532.4Standard polar33892256
Ciraparantag,4TMS,isomer #23C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4900.5Semi standard non polar33892256
Ciraparantag,4TMS,isomer #23C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4420.8Standard non polar33892256
Ciraparantag,4TMS,isomer #23C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9481.0Standard polar33892256
Ciraparantag,4TMS,isomer #24C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C4774.1Semi standard non polar33892256
Ciraparantag,4TMS,isomer #24C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C4346.6Standard non polar33892256
Ciraparantag,4TMS,isomer #24C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C9437.5Standard polar33892256
Ciraparantag,4TMS,isomer #25C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4978.7Semi standard non polar33892256
Ciraparantag,4TMS,isomer #25C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4563.3Standard non polar33892256
Ciraparantag,4TMS,isomer #25C[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9417.8Standard polar33892256
Ciraparantag,4TMS,isomer #26C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4839.9Semi standard non polar33892256
Ciraparantag,4TMS,isomer #26C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4467.7Standard non polar33892256
Ciraparantag,4TMS,isomer #26C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9376.3Standard polar33892256
Ciraparantag,4TMS,isomer #27C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14821.0Semi standard non polar33892256
Ciraparantag,4TMS,isomer #27C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14464.0Standard non polar33892256
Ciraparantag,4TMS,isomer #27C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC19377.8Standard polar33892256
Ciraparantag,4TMS,isomer #28C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4726.6Semi standard non polar33892256
Ciraparantag,4TMS,isomer #28C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4382.9Standard non polar33892256
Ciraparantag,4TMS,isomer #28C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9336.2Standard polar33892256
Ciraparantag,4TMS,isomer #29C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4984.9Semi standard non polar33892256
Ciraparantag,4TMS,isomer #29C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4357.6Standard non polar33892256
Ciraparantag,4TMS,isomer #29C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9211.3Standard polar33892256
Ciraparantag,4TMS,isomer #3C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C4984.7Semi standard non polar33892256
Ciraparantag,4TMS,isomer #3C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C4357.8Standard non polar33892256
Ciraparantag,4TMS,isomer #3C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C9212.2Standard polar33892256
Ciraparantag,4TMS,isomer #30C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4950.8Semi standard non polar33892256
Ciraparantag,4TMS,isomer #30C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4232.6Standard non polar33892256
Ciraparantag,4TMS,isomer #30C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C9219.0Standard polar33892256
Ciraparantag,4TMS,isomer #31C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4985.7Semi standard non polar33892256
Ciraparantag,4TMS,isomer #31C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4200.7Standard non polar33892256
Ciraparantag,4TMS,isomer #31C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C9274.3Standard polar33892256
Ciraparantag,4TMS,isomer #32C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5083.4Semi standard non polar33892256
Ciraparantag,4TMS,isomer #32C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4258.2Standard non polar33892256
Ciraparantag,4TMS,isomer #32C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C9319.8Standard polar33892256
Ciraparantag,4TMS,isomer #33C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C5024.4Semi standard non polar33892256
Ciraparantag,4TMS,isomer #33C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4471.1Standard non polar33892256
Ciraparantag,4TMS,isomer #33C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9534.3Standard polar33892256
Ciraparantag,4TMS,isomer #34C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4876.4Semi standard non polar33892256
Ciraparantag,4TMS,isomer #34C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4383.7Standard non polar33892256
Ciraparantag,4TMS,isomer #34C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9488.5Standard polar33892256
Ciraparantag,4TMS,isomer #35C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14847.3Semi standard non polar33892256
Ciraparantag,4TMS,isomer #35C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14405.0Standard non polar33892256
Ciraparantag,4TMS,isomer #35C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC19438.0Standard polar33892256
Ciraparantag,4TMS,isomer #36C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4773.8Semi standard non polar33892256
Ciraparantag,4TMS,isomer #36C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4346.6Standard non polar33892256
Ciraparantag,4TMS,isomer #36C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9437.3Standard polar33892256
Ciraparantag,4TMS,isomer #37C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4901.0Semi standard non polar33892256
Ciraparantag,4TMS,isomer #37C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4420.4Standard non polar33892256
Ciraparantag,4TMS,isomer #37C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9480.8Standard polar33892256
Ciraparantag,4TMS,isomer #38C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14940.2Semi standard non polar33892256
Ciraparantag,4TMS,isomer #38C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14403.8Standard non polar33892256
Ciraparantag,4TMS,isomer #38C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC19532.2Standard polar33892256
Ciraparantag,4TMS,isomer #39C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4740.0Semi standard non polar33892256
Ciraparantag,4TMS,isomer #39C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4452.2Standard non polar33892256
Ciraparantag,4TMS,isomer #39C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9572.9Standard polar33892256
Ciraparantag,4TMS,isomer #4C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C5082.4Semi standard non polar33892256
Ciraparantag,4TMS,isomer #4C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C4259.8Standard non polar33892256
Ciraparantag,4TMS,isomer #4C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C9320.6Standard polar33892256
Ciraparantag,4TMS,isomer #40C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C5198.6Semi standard non polar33892256
Ciraparantag,4TMS,isomer #40C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C4077.6Standard non polar33892256
Ciraparantag,4TMS,isomer #40C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C9268.5Standard polar33892256
Ciraparantag,4TMS,isomer #41C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5104.4Semi standard non polar33892256
Ciraparantag,4TMS,isomer #41C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4201.1Standard non polar33892256
Ciraparantag,4TMS,isomer #41C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C9443.5Standard polar33892256
Ciraparantag,4TMS,isomer #42C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C5042.5Semi standard non polar33892256
Ciraparantag,4TMS,isomer #42C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C4180.9Standard non polar33892256
Ciraparantag,4TMS,isomer #42C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C9391.7Standard polar33892256
Ciraparantag,4TMS,isomer #43C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC15041.8Semi standard non polar33892256
Ciraparantag,4TMS,isomer #43C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14180.7Standard non polar33892256
Ciraparantag,4TMS,isomer #43C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC19391.7Standard polar33892256
Ciraparantag,4TMS,isomer #44C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC15087.6Semi standard non polar33892256
Ciraparantag,4TMS,isomer #44C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14290.9Standard non polar33892256
Ciraparantag,4TMS,isomer #44C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC19388.0Standard polar33892256
Ciraparantag,4TMS,isomer #45C[Si](C)(C)N(C(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4968.7Semi standard non polar33892256
Ciraparantag,4TMS,isomer #45C[Si](C)(C)N(C(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4407.7Standard non polar33892256
Ciraparantag,4TMS,isomer #45C[Si](C)(C)N(C(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C9421.1Standard polar33892256
Ciraparantag,4TMS,isomer #46C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4900.1Semi standard non polar33892256
Ciraparantag,4TMS,isomer #46C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4322.8Standard non polar33892256
Ciraparantag,4TMS,isomer #46C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C9417.1Standard polar33892256
Ciraparantag,4TMS,isomer #47C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4899.8Semi standard non polar33892256
Ciraparantag,4TMS,isomer #47C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4322.8Standard non polar33892256
Ciraparantag,4TMS,isomer #47C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9417.0Standard polar33892256
Ciraparantag,4TMS,isomer #48C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4845.0Semi standard non polar33892256
Ciraparantag,4TMS,isomer #48C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4202.3Standard non polar33892256
Ciraparantag,4TMS,isomer #48C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C9414.4Standard polar33892256
Ciraparantag,4TMS,isomer #49C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C5071.0Semi standard non polar33892256
Ciraparantag,4TMS,isomer #49C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4378.8Standard non polar33892256
Ciraparantag,4TMS,isomer #49C[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9657.4Standard polar33892256
Ciraparantag,4TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C4985.6Semi standard non polar33892256
Ciraparantag,4TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C4202.2Standard non polar33892256
Ciraparantag,4TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N[Si](C)(C)C9275.2Standard polar33892256
Ciraparantag,4TMS,isomer #50C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4952.1Semi standard non polar33892256
Ciraparantag,4TMS,isomer #50C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4344.6Standard non polar33892256
Ciraparantag,4TMS,isomer #50C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9597.9Standard polar33892256
Ciraparantag,4TMS,isomer #51C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14953.3Semi standard non polar33892256
Ciraparantag,4TMS,isomer #51C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14344.3Standard non polar33892256
Ciraparantag,4TMS,isomer #51C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC19597.9Standard polar33892256
Ciraparantag,4TMS,isomer #52C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4849.2Semi standard non polar33892256
Ciraparantag,4TMS,isomer #52C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4303.5Standard non polar33892256
Ciraparantag,4TMS,isomer #52C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9541.1Standard polar33892256
Ciraparantag,4TMS,isomer #53C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4772.2Semi standard non polar33892256
Ciraparantag,4TMS,isomer #53C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4383.2Standard non polar33892256
Ciraparantag,4TMS,isomer #53C[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9634.0Standard polar33892256
Ciraparantag,4TMS,isomer #6C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C4952.5Semi standard non polar33892256
Ciraparantag,4TMS,isomer #6C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C4233.4Standard non polar33892256
Ciraparantag,4TMS,isomer #6C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N[Si](C)(C)C9219.6Standard polar33892256
Ciraparantag,4TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC15014.9Semi standard non polar33892256
Ciraparantag,4TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC14384.9Standard non polar33892256
Ciraparantag,4TMS,isomer #7C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)CC19144.6Standard polar33892256
Ciraparantag,4TMS,isomer #8C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC14916.4Semi standard non polar33892256
Ciraparantag,4TMS,isomer #8C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC14433.6Standard non polar33892256
Ciraparantag,4TMS,isomer #8C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC19228.5Standard polar33892256
Ciraparantag,4TMS,isomer #9C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4979.6Semi standard non polar33892256
Ciraparantag,4TMS,isomer #9C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4444.0Standard non polar33892256
Ciraparantag,4TMS,isomer #9C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9281.5Standard polar33892256
Ciraparantag,5TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC15118.8Semi standard non polar33892256
Ciraparantag,5TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC14256.2Standard non polar33892256
Ciraparantag,5TMS,isomer #1C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC18621.0Standard polar33892256
Ciraparantag,5TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC15084.6Semi standard non polar33892256
Ciraparantag,5TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14191.6Standard non polar33892256
Ciraparantag,5TMS,isomer #10C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC18932.6Standard polar33892256
Ciraparantag,5TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC15064.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC14307.0Standard non polar33892256
Ciraparantag,5TMS,isomer #11C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC18846.7Standard polar33892256
Ciraparantag,5TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC15157.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14244.6Standard non polar33892256
Ciraparantag,5TMS,isomer #12C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC18973.1Standard polar33892256
Ciraparantag,5TMS,isomer #13C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14934.8Semi standard non polar33892256
Ciraparantag,5TMS,isomer #13C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14421.3Standard non polar33892256
Ciraparantag,5TMS,isomer #13C[Si](C)(C)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC18912.7Standard polar33892256
Ciraparantag,5TMS,isomer #14C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5040.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #14C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4396.2Standard non polar33892256
Ciraparantag,5TMS,isomer #14C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C9017.8Standard polar33892256
Ciraparantag,5TMS,isomer #15C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4919.2Semi standard non polar33892256
Ciraparantag,5TMS,isomer #15C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4325.4Standard non polar33892256
Ciraparantag,5TMS,isomer #15C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C8972.9Standard polar33892256
Ciraparantag,5TMS,isomer #16C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4878.1Semi standard non polar33892256
Ciraparantag,5TMS,isomer #16C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4347.4Standard non polar33892256
Ciraparantag,5TMS,isomer #16C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C8921.6Standard polar33892256
Ciraparantag,5TMS,isomer #17C[Si](C)(C)NC(=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C5030.4Semi standard non polar33892256
Ciraparantag,5TMS,isomer #17C[Si](C)(C)NC(=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C4254.2Standard non polar33892256
Ciraparantag,5TMS,isomer #17C[Si](C)(C)NC(=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C9083.5Standard polar33892256
Ciraparantag,5TMS,isomer #18C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C4992.2Semi standard non polar33892256
Ciraparantag,5TMS,isomer #18C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C4287.6Standard non polar33892256
Ciraparantag,5TMS,isomer #18C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C9031.8Standard polar33892256
Ciraparantag,5TMS,isomer #19C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4894.8Semi standard non polar33892256
Ciraparantag,5TMS,isomer #19C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4227.2Standard non polar33892256
Ciraparantag,5TMS,isomer #19C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C8987.8Standard polar33892256
Ciraparantag,5TMS,isomer #2C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4974.2Semi standard non polar33892256
Ciraparantag,5TMS,isomer #2C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4375.4Standard non polar33892256
Ciraparantag,5TMS,isomer #2C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C8655.9Standard polar33892256
Ciraparantag,5TMS,isomer #20C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC14996.1Semi standard non polar33892256
Ciraparantag,5TMS,isomer #20C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC14386.3Standard non polar33892256
Ciraparantag,5TMS,isomer #20C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC18903.6Standard polar33892256
Ciraparantag,5TMS,isomer #21C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC15045.1Semi standard non polar33892256
Ciraparantag,5TMS,isomer #21C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14407.9Standard non polar33892256
Ciraparantag,5TMS,isomer #21C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC18959.5Standard polar33892256
Ciraparantag,5TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14969.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14348.9Standard non polar33892256
Ciraparantag,5TMS,isomer #22C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC18925.5Standard polar33892256
Ciraparantag,5TMS,isomer #23C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC14995.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #23C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC14473.1Standard non polar33892256
Ciraparantag,5TMS,isomer #23C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC19089.2Standard polar33892256
Ciraparantag,5TMS,isomer #24C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC14867.3Semi standard non polar33892256
Ciraparantag,5TMS,isomer #24C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC14400.7Standard non polar33892256
Ciraparantag,5TMS,isomer #24C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC19051.2Standard polar33892256
Ciraparantag,5TMS,isomer #25C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14868.1Semi standard non polar33892256
Ciraparantag,5TMS,isomer #25C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14400.8Standard non polar33892256
Ciraparantag,5TMS,isomer #25C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC19051.2Standard polar33892256
Ciraparantag,5TMS,isomer #26C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14994.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #26C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14472.9Standard non polar33892256
Ciraparantag,5TMS,isomer #26C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC19089.2Standard polar33892256
Ciraparantag,5TMS,isomer #27C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4916.6Semi standard non polar33892256
Ciraparantag,5TMS,isomer #27C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4420.8Standard non polar33892256
Ciraparantag,5TMS,isomer #27C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C9095.0Standard polar33892256
Ciraparantag,5TMS,isomer #28C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4927.3Semi standard non polar33892256
Ciraparantag,5TMS,isomer #28C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4423.5Standard non polar33892256
Ciraparantag,5TMS,isomer #28C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9093.8Standard polar33892256
Ciraparantag,5TMS,isomer #29C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C5045.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #29C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4497.1Standard non polar33892256
Ciraparantag,5TMS,isomer #29C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9131.3Standard polar33892256
Ciraparantag,5TMS,isomer #3C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C5066.2Semi standard non polar33892256
Ciraparantag,5TMS,isomer #3C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C4299.2Standard non polar33892256
Ciraparantag,5TMS,isomer #3C[Si](C)(C)NC(=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C8787.9Standard polar33892256
Ciraparantag,5TMS,isomer #30C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4813.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #30C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4360.1Standard non polar33892256
Ciraparantag,5TMS,isomer #30C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9055.1Standard polar33892256
Ciraparantag,5TMS,isomer #31C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4928.3Semi standard non polar33892256
Ciraparantag,5TMS,isomer #31C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4423.6Standard non polar33892256
Ciraparantag,5TMS,isomer #31C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9093.8Standard polar33892256
Ciraparantag,5TMS,isomer #32C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14917.4Semi standard non polar33892256
Ciraparantag,5TMS,isomer #32C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14420.5Standard non polar33892256
Ciraparantag,5TMS,isomer #32C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC19095.0Standard polar33892256
Ciraparantag,5TMS,isomer #33C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C5091.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #33C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C4227.7Standard non polar33892256
Ciraparantag,5TMS,isomer #33C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C8914.5Standard polar33892256
Ciraparantag,5TMS,isomer #34C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C5158.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #34C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4244.3Standard non polar33892256
Ciraparantag,5TMS,isomer #34C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C8972.5Standard polar33892256
Ciraparantag,5TMS,isomer #35C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C5085.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #35C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C4191.5Standard non polar33892256
Ciraparantag,5TMS,isomer #35C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C8932.1Standard polar33892256
Ciraparantag,5TMS,isomer #36C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC15048.6Semi standard non polar33892256
Ciraparantag,5TMS,isomer #36C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14225.5Standard non polar33892256
Ciraparantag,5TMS,isomer #36C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC18872.6Standard polar33892256
Ciraparantag,5TMS,isomer #37C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC15065.4Semi standard non polar33892256
Ciraparantag,5TMS,isomer #37C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14307.7Standard non polar33892256
Ciraparantag,5TMS,isomer #37C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC18846.1Standard polar33892256
Ciraparantag,5TMS,isomer #38C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC15058.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #38C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC14377.2Standard non polar33892256
Ciraparantag,5TMS,isomer #38C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC19199.4Standard polar33892256
Ciraparantag,5TMS,isomer #39C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C5106.1Semi standard non polar33892256
Ciraparantag,5TMS,isomer #39C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4398.5Standard non polar33892256
Ciraparantag,5TMS,isomer #39C[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9243.2Standard polar33892256
Ciraparantag,5TMS,isomer #4C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C5003.4Semi standard non polar33892256
Ciraparantag,5TMS,isomer #4C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4249.1Standard non polar33892256
Ciraparantag,5TMS,isomer #4C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C8744.4Standard polar33892256
Ciraparantag,5TMS,isomer #40C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4971.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #40C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4332.4Standard non polar33892256
Ciraparantag,5TMS,isomer #40C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9205.3Standard polar33892256
Ciraparantag,5TMS,isomer #41C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14938.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #41C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14361.4Standard non polar33892256
Ciraparantag,5TMS,isomer #41C[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC19155.9Standard polar33892256
Ciraparantag,5TMS,isomer #42C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4886.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #42C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4315.7Standard non polar33892256
Ciraparantag,5TMS,isomer #42C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9162.3Standard polar33892256
Ciraparantag,5TMS,isomer #43C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C4936.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #43C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C4361.5Standard non polar33892256
Ciraparantag,5TMS,isomer #43C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C9156.0Standard polar33892256
Ciraparantag,5TMS,isomer #44C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C5002.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #44C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4380.1Standard non polar33892256
Ciraparantag,5TMS,isomer #44C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9198.8Standard polar33892256
Ciraparantag,5TMS,isomer #45C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14971.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #45C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC14331.9Standard non polar33892256
Ciraparantag,5TMS,isomer #45C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC19205.5Standard polar33892256
Ciraparantag,5TMS,isomer #46C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC15048.1Semi standard non polar33892256
Ciraparantag,5TMS,isomer #46C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14352.5Standard non polar33892256
Ciraparantag,5TMS,isomer #46C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC19249.7Standard polar33892256
Ciraparantag,5TMS,isomer #47C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC15106.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #47C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14397.7Standard non polar33892256
Ciraparantag,5TMS,isomer #47C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC19243.3Standard polar33892256
Ciraparantag,5TMS,isomer #48C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4993.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #48C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4439.8Standard non polar33892256
Ciraparantag,5TMS,isomer #48C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C9366.5Standard polar33892256
Ciraparantag,5TMS,isomer #49C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4950.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #49C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4463.4Standard non polar33892256
Ciraparantag,5TMS,isomer #49C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9320.6Standard polar33892256
Ciraparantag,5TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5003.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4248.8Standard non polar33892256
Ciraparantag,5TMS,isomer #5C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C8744.3Standard polar33892256
Ciraparantag,5TMS,isomer #50C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C4801.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #50C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C4389.1Standard non polar33892256
Ciraparantag,5TMS,isomer #50C[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C9283.8Standard polar33892256
Ciraparantag,5TMS,isomer #51C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4852.4Semi standard non polar33892256
Ciraparantag,5TMS,isomer #51C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4409.3Standard non polar33892256
Ciraparantag,5TMS,isomer #51C[Si](C)(C)NC(N)=NCCCC(C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C9317.7Standard polar33892256
Ciraparantag,5TMS,isomer #52C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C4913.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #52C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C4534.3Standard non polar33892256
Ciraparantag,5TMS,isomer #52C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C9254.7Standard polar33892256
Ciraparantag,5TMS,isomer #53C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4769.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #53C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4457.9Standard non polar33892256
Ciraparantag,5TMS,isomer #53C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9214.6Standard polar33892256
Ciraparantag,5TMS,isomer #54C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14936.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #54C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14420.1Standard non polar33892256
Ciraparantag,5TMS,isomer #54C[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC18911.5Standard polar33892256
Ciraparantag,5TMS,isomer #55C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4878.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #55C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4347.2Standard non polar33892256
Ciraparantag,5TMS,isomer #55C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C8920.8Standard polar33892256
Ciraparantag,5TMS,isomer #56C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4919.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #56C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4324.3Standard non polar33892256
Ciraparantag,5TMS,isomer #56C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C8972.1Standard polar33892256
Ciraparantag,5TMS,isomer #57C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C5043.8Semi standard non polar33892256
Ciraparantag,5TMS,isomer #57C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4395.8Standard non polar33892256
Ciraparantag,5TMS,isomer #57C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9016.9Standard polar33892256
Ciraparantag,5TMS,isomer #58C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4894.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #58C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4226.0Standard non polar33892256
Ciraparantag,5TMS,isomer #58C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C8987.2Standard polar33892256
Ciraparantag,5TMS,isomer #59C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4992.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #59C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4286.8Standard non polar33892256
Ciraparantag,5TMS,isomer #59C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C9031.1Standard polar33892256
Ciraparantag,5TMS,isomer #6C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5067.3Semi standard non polar33892256
Ciraparantag,5TMS,isomer #6C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4299.0Standard non polar33892256
Ciraparantag,5TMS,isomer #6C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C8787.8Standard polar33892256
Ciraparantag,5TMS,isomer #60C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5032.2Semi standard non polar33892256
Ciraparantag,5TMS,isomer #60C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4252.3Standard non polar33892256
Ciraparantag,5TMS,isomer #60C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C9082.8Standard polar33892256
Ciraparantag,5TMS,isomer #61C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C4953.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #61C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C4463.0Standard non polar33892256
Ciraparantag,5TMS,isomer #61C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C9320.4Standard polar33892256
Ciraparantag,5TMS,isomer #62C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C4994.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #62C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C4439.0Standard non polar33892256
Ciraparantag,5TMS,isomer #62C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C9366.2Standard polar33892256
Ciraparantag,5TMS,isomer #63C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4803.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #63C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4388.4Standard non polar33892256
Ciraparantag,5TMS,isomer #63C[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9283.6Standard polar33892256
Ciraparantag,5TMS,isomer #64C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4853.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #64C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4408.3Standard non polar33892256
Ciraparantag,5TMS,isomer #64C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9317.5Standard polar33892256
Ciraparantag,5TMS,isomer #65C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5171.5Semi standard non polar33892256
Ciraparantag,5TMS,isomer #65C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4158.2Standard non polar33892256
Ciraparantag,5TMS,isomer #65C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C8840.0Standard polar33892256
Ciraparantag,5TMS,isomer #66C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5143.8Semi standard non polar33892256
Ciraparantag,5TMS,isomer #66C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4103.2Standard non polar33892256
Ciraparantag,5TMS,isomer #66C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C8867.1Standard polar33892256
Ciraparantag,5TMS,isomer #67C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C5113.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #67C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C4295.7Standard non polar33892256
Ciraparantag,5TMS,isomer #67C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N([Si](C)(C)C)[Si](C)(C)C9143.4Standard polar33892256
Ciraparantag,5TMS,isomer #68C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C5035.6Semi standard non polar33892256
Ciraparantag,5TMS,isomer #68C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C4208.9Standard non polar33892256
Ciraparantag,5TMS,isomer #68C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C)N[Si](C)(C)C9156.9Standard polar33892256
Ciraparantag,5TMS,isomer #69C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5038.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #69C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4208.8Standard non polar33892256
Ciraparantag,5TMS,isomer #69C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C9156.9Standard polar33892256
Ciraparantag,5TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C5202.8Semi standard non polar33892256
Ciraparantag,5TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C4135.1Standard non polar33892256
Ciraparantag,5TMS,isomer #7C[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)N[Si](C)(C)C8633.5Standard polar33892256
Ciraparantag,5TMS,isomer #70C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4977.9Semi standard non polar33892256
Ciraparantag,5TMS,isomer #70C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4188.1Standard non polar33892256
Ciraparantag,5TMS,isomer #70C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9106.2Standard polar33892256
Ciraparantag,5TMS,isomer #71C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4994.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #71C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4276.6Standard non polar33892256
Ciraparantag,5TMS,isomer #71C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9092.9Standard polar33892256
Ciraparantag,5TMS,isomer #72C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14995.4Semi standard non polar33892256
Ciraparantag,5TMS,isomer #72C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC14276.3Standard non polar33892256
Ciraparantag,5TMS,isomer #72C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC19092.9Standard polar33892256
Ciraparantag,5TMS,isomer #73C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC15057.8Semi standard non polar33892256
Ciraparantag,5TMS,isomer #73C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC14332.2Standard non polar33892256
Ciraparantag,5TMS,isomer #73C[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC19083.9Standard polar33892256
Ciraparantag,5TMS,isomer #74C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4864.8Semi standard non polar33892256
Ciraparantag,5TMS,isomer #74C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4401.0Standard non polar33892256
Ciraparantag,5TMS,isomer #74C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C9154.8Standard polar33892256
Ciraparantag,5TMS,isomer #75C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4863.3Semi standard non polar33892256
Ciraparantag,5TMS,isomer #75C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4400.1Standard non polar33892256
Ciraparantag,5TMS,isomer #75C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9154.7Standard polar33892256
Ciraparantag,5TMS,isomer #76C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4814.1Semi standard non polar33892256
Ciraparantag,5TMS,isomer #76C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4320.2Standard non polar33892256
Ciraparantag,5TMS,isomer #76C[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C)CC1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C9163.1Standard polar33892256
Ciraparantag,5TMS,isomer #77C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C5025.0Semi standard non polar33892256
Ciraparantag,5TMS,isomer #77C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C4365.7Standard non polar33892256
Ciraparantag,5TMS,isomer #77C[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C9431.6Standard polar33892256
Ciraparantag,5TMS,isomer #78C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4886.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #78C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C4334.3Standard non polar33892256
Ciraparantag,5TMS,isomer #78C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C9384.3Standard polar33892256
Ciraparantag,5TMS,isomer #8C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C5090.7Semi standard non polar33892256
Ciraparantag,5TMS,isomer #8C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C4227.6Standard non polar33892256
Ciraparantag,5TMS,isomer #8C[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)CC1)N[Si](C)(C)C8914.6Standard polar33892256
Ciraparantag,5TMS,isomer #9C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C5049.4Semi standard non polar33892256
Ciraparantag,5TMS,isomer #9C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C4225.6Standard non polar33892256
Ciraparantag,5TMS,isomer #9C[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)CC1)[Si](C)(C)C8872.9Standard polar33892256
Ciraparantag,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC15093.4Semi standard non polar33892256
Ciraparantag,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14611.4Standard non polar33892256
Ciraparantag,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC19851.6Standard polar33892256
Ciraparantag,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC15152.1Semi standard non polar33892256
Ciraparantag,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14556.4Standard non polar33892256
Ciraparantag,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC19990.5Standard polar33892256
Ciraparantag,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N5006.7Semi standard non polar33892256
Ciraparantag,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N4540.9Standard non polar33892256
Ciraparantag,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N9999.4Standard polar33892256
Ciraparantag,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC15287.6Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14731.2Standard non polar33892256
Ciraparantag,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC19637.8Standard polar33892256
Ciraparantag,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C5233.2Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C4679.9Standard non polar33892256
Ciraparantag,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C9808.6Standard polar33892256
Ciraparantag,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC15233.4Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC14680.2Standard non polar33892256
Ciraparantag,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC19808.6Standard polar33892256
Ciraparantag,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N5078.2Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4713.5Standard non polar33892256
Ciraparantag,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9861.7Standard polar33892256
Ciraparantag,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC15238.7Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC14819.3Standard non polar33892256
Ciraparantag,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC19507.1Standard polar33892256
Ciraparantag,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC15287.6Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC14731.7Standard non polar33892256
Ciraparantag,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC19637.6Standard polar33892256
Ciraparantag,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C5271.7Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C4806.8Standard non polar33892256
Ciraparantag,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C9777.6Standard polar33892256
Ciraparantag,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C5182.9Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C4760.3Standard non polar33892256
Ciraparantag,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C9729.5Standard polar33892256
Ciraparantag,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC15156.5Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC14763.3Standard non polar33892256
Ciraparantag,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC19689.6Standard polar33892256
Ciraparantag,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C5373.8Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C4597.7Standard non polar33892256
Ciraparantag,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C9659.0Standard polar33892256
Ciraparantag,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)CC15370.3Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)CC14649.1Standard non polar33892256
Ciraparantag,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)CC19768.4Standard polar33892256
Ciraparantag,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C5275.2Semi standard non polar33892256
Ciraparantag,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C4735.7Standard non polar33892256
Ciraparantag,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C9858.7Standard polar33892256
Ciraparantag,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C5554.5Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C4691.7Standard non polar33892256
Ciraparantag,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N[Si](C)(C)C(C)(C)C9148.3Standard polar33892256
Ciraparantag,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C5554.4Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C4692.1Standard non polar33892256
Ciraparantag,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C9147.9Standard polar33892256
Ciraparantag,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC15453.5Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC14876.6Standard non polar33892256
Ciraparantag,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC19438.9Standard polar33892256
Ciraparantag,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C5393.0Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C4838.9Standard non polar33892256
Ciraparantag,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C9412.3Standard polar33892256
Ciraparantag,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC15414.9Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC14820.2Standard non polar33892256
Ciraparantag,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC19447.1Standard polar33892256
Ciraparantag,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC15510.6Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC14882.4Standard non polar33892256
Ciraparantag,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC19478.2Standard polar33892256
Ciraparantag,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5377.6Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4951.2Standard non polar33892256
Ciraparantag,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C9616.3Standard polar33892256
Ciraparantag,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N5370.6Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4953.1Standard non polar33892256
Ciraparantag,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9580.1Standard polar33892256
Ciraparantag,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C5266.0Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C4896.7Standard non polar33892256
Ciraparantag,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C9551.3Standard polar33892256
Ciraparantag,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC15631.7Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC14594.2Standard non polar33892256
Ciraparantag,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC19283.3Standard polar33892256
Ciraparantag,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5526.8Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4766.2Standard non polar33892256
Ciraparantag,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C9367.3Standard polar33892256
Ciraparantag,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC15453.3Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC14870.0Standard non polar33892256
Ciraparantag,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)CC19194.0Standard polar33892256
Ciraparantag,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C5498.7Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4672.0Standard non polar33892256
Ciraparantag,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C9368.5Standard polar33892256
Ciraparantag,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C5499.3Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C4672.6Standard non polar33892256
Ciraparantag,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)NC(=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)N[Si](C)(C)C(C)(C)C9368.4Standard polar33892256
Ciraparantag,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC15549.6Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC14778.7Standard non polar33892256
Ciraparantag,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC19554.0Standard polar33892256
Ciraparantag,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC15485.4Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC14737.3Standard non polar33892256
Ciraparantag,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC19524.9Standard polar33892256
Ciraparantag,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5398.6Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4851.1Standard non polar33892256
Ciraparantag,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)C(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C9651.5Standard polar33892256
Ciraparantag,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N5397.4Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N4850.6Standard non polar33892256
Ciraparantag,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC1)C(=O)C(N)CCCN=C(N)N9651.5Standard polar33892256
Ciraparantag,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C5344.2Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C4803.4Standard non polar33892256
Ciraparantag,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)N(CCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C9622.5Standard polar33892256
Ciraparantag,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC15517.1Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC14761.9Standard non polar33892256
Ciraparantag,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)CC19315.7Standard polar33892256
Ciraparantag,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC15452.7Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC14877.1Standard non polar33892256
Ciraparantag,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC19439.1Standard polar33892256
Ciraparantag,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5510.5Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4883.3Standard non polar33892256
Ciraparantag,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NCCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C9478.4Standard polar33892256
Ciraparantag,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C5415.3Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C4820.9Standard non polar33892256
Ciraparantag,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(CCCN1CCN(CCCNC(=O)C(N)CCCN=C(N)N)CC1)[Si](C)(C)C(C)(C)C9447.2Standard polar33892256
Ciraparantag,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC15393.0Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC14838.2Standard non polar33892256
Ciraparantag,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(N)=NCCCC(N[Si](C)(C)C(C)(C)C)C(=O)NCCCN1CCN(CCCN(C(=O)C(N)CCCN=C(N)N)[Si](C)(C)C(C)(C)C)CC19412.4Standard polar33892256
Ciraparantag,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC15445.6Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC14977.7Standard non polar33892256
Ciraparantag,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCNC(=O)C(CCCN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC19366.0Standard polar33892256
Ciraparantag,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC15342.3Semi standard non polar33892256
Ciraparantag,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC14920.5Standard non polar33892256
Ciraparantag,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCCN=C(N)N)C(=O)NCCCN1CCN(CCCN(C(=O)C(CCCN=C(N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC19335.2Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ciraparantag 10V, Positive-QTOFsplash10-03dj-0000970000-682d845bd5bc62d9d1bd2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ciraparantag 20V, Positive-QTOFsplash10-0udr-0001900000-a25de8ed911e7782ab9e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ciraparantag 40V, Positive-QTOFsplash10-00bi-8786900000-798320500802eb63e4f42021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ciraparantag 10V, Negative-QTOFsplash10-03dl-3000390000-c93abbb779fd166582de2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ciraparantag 20V, Negative-QTOFsplash10-0006-9000600000-dba6ecf4ae9377edca842021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ciraparantag 40V, Negative-QTOFsplash10-0006-9000510000-f9e7143a2eb6e8978c422021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID64880331
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCiraparantag
METLIN IDNot Available
PubChem Compound71570176
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]