Molecule FYI-1002090

A

Molecule Summary:

ID: FYI-1002090
Names:
InChIKey: TYJPSIQEEXOQLC-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

Received at FYIcenter.com on: 2023-01-27

Molecule ID: FYI-1002090 Edit

Molecule Structure InChIKey: TYJPSIQEEXOQLC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002090
FYIcenter.com

 47 47  0  0  0  0  0  0  0  0999 V2000
    3.6348    9.3692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9043    3.7731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6849    5.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2225    0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    7.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    7.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    3.0736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2696    5.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    5.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    5.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232   10.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6927    5.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3301    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6306    1.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    9.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348   10.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232   11.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9043    5.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940    3.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2622    1.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    7.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9691    7.0832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5700    7.0832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    3.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7575    3.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7816    3.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1807    3.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469    4.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474    5.8716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    7.0832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9932    7.0832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4619    3.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6082    2.0339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7624    0.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4844    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.9702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121   10.5808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111    8.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3343    9.5566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464   11.4677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794   12.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394   11.5317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232   12.8668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   11.4677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 23  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5 22  2  0  0  0  0
  6 23  2  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  7 38  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 22  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002090-3D
FYIcenter.com

 47 47  0     0  0  0  0  0  0999 V2000
   -3.1618    0.6375   -0.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720   -0.5822    0.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520   -0.9578   -1.6461 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890    0.9692    0.6271 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265    1.2301    0.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7871   -0.6980    1.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5881   -1.5395   -0.7337 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7922    0.7889    0.3099 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -2.8670   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -3.1551    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946   -3.1153    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4808   -2.9047   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7920    1.7569   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   -2.8124   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    2.8445   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2201    2.9311   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2791    1.4478    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5940    2.9696   -0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1277    1.9859    1.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348   -1.3602   -0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9932    1.4235    0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7039    1.5543    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2322   -0.5472   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1065   -3.5030   -1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0591   -1.8265   -0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315   -4.1993    0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631   -2.5280    1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263   -2.5092    1.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3071   -4.1649    0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4727   -3.5344   -1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3710   -3.1621    0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4615   -3.0699    0.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6721   -3.4250   -0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2707    3.0582   -1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0718    3.5310    0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7714    3.6622    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692    3.1898   -1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -1.2842   -1.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5118    0.7536    0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8371    2.3643    0.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6956    1.0199   -0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269    2.7887   -1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271    3.1645   -1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0520    3.8716   -0.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0366    1.9232    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780    2.9821    1.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4341    1.2858    2.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 23  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5 22  2  0  0  0  0
  6 23  2  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  7 38  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 22  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-05, 1705👍, 0💬