Molecule FYI-1011983

A

Molecule Summary:

ID: FYI-1011983
Names:
InChIKey: XOHOUMHBBCXNFH-UHFFFAOYSA-N
SMILES: O=C(O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)O

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1011983 Edit

Molecule Structure InChIKey: XOHOUMHBBCXNFH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011983
FYIcenter.com

 34 33  0  0  0  0  0  0  0  0999 V2000
   33.9482    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011983-3D
FYIcenter.com

 77 76  0  0  0  0  0  0  0  0999 V2000
   11.8031  -13.6477    1.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0498  -12.5042    1.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4408  -12.2044    2.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9635  -11.2849    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4964  -11.6581   -0.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4142  -10.4332   -1.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9813  -10.8273   -3.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8504   -9.6179   -4.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0944   -8.8858   -4.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0770   -7.5402   -4.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0396   -6.8931   -4.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4632   -6.9306   -4.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3783   -5.4235   -4.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7515   -4.7678   -5.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6082   -3.2638   -5.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9519   -2.5426   -5.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7536   -3.0415   -6.4944 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1324   -3.0132   -6.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8122   -2.5645   -5.5541 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7481   -3.6003   -7.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3810   -2.7945   -8.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8175   -1.3250   -8.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3229   -1.1224   -8.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1238   -1.7169   -9.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5450   -1.6038   -9.6532 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2638   -2.6004   -9.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7577   -3.6353   -8.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7459   -2.3215   -8.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0447   -1.0496   -8.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4649   -1.0914   -6.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7030    0.2070   -5.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800    1.4039   -6.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7218    2.3569   -7.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7338    1.3290   -6.7173 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6140  -11.2545    2.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9556  -10.8226    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581  -10.5778    1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5141  -12.1441   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1880  -12.3901   -1.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3945   -9.9430   -1.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7037   -9.7092   -1.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0119  -11.3388   -3.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7030  -11.5354   -3.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0675   -8.9485   -3.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5588   -9.9342   -5.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9492   -9.4003   -4.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9741   -7.4256   -5.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0322   -7.1253   -3.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8427   -4.9461   -4.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7828   -5.2427   -5.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2877   -5.2480   -5.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3452   -4.9225   -4.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0321   -2.8009   -4.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0339   -3.1159   -6.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5125   -2.6260   -4.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7812   -1.4781   -5.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2717   -3.3015   -7.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3987   -4.6344   -7.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8334   -3.6537   -7.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2978   -2.8222   -9.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8164   -3.2813   -9.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2906   -0.8239   -8.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4949   -0.8204   -9.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6518   -1.5469   -7.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5295   -0.0469   -8.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8921   -1.1905  -10.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8903   -2.7752  -10.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0205   -0.7817  -10.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1718   -2.2493   -9.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2136   -3.1838   -8.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6525   -0.1827   -8.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1316   -0.9158   -8.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9218   -1.9207   -6.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3895   -1.2969   -6.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7799    0.3884   -5.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2980    0.1373   -4.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3381    0.5345   -6.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 23  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 24  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 25  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 26  1  0  0  0  0
 25 68  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
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 30  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 31  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 32  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 77  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 979👍, 0💬