Molecule FYI-1004683

A

Molecule Summary:

ID: FYI-1004683
Names:
InChIKey: ZXUVJMBTZIUKJG-YAPXXNHMSA-M
SMILES: CS(=O)CCCCCCCCCCC/C(=N\\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Received at FYIcenter.com on: 2023-09-21

Molecule ID: FYI-1004683 Edit

Molecule Structure InChIKey: ZXUVJMBTZIUKJG-YAPXXNHMSA-M

Molecule Structure SMILES String: CS(=O)CCCCCCCCCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004683
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
   19.3990    4.0124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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
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 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 17 16  2  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  6  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
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 25 27  1  6  0  0  0
 28 27  1  0  0  0  0
 24 29  1  1  0  0  0
 23 30  1  6  0  0  0
 22 31  1  1  0  0  0
  1 32  1  0  0  0  0
  1 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004683-3D
FYIcenter.com

 69 69  0  0  1  0  0  0  0  0999 V2000
   24.6440    7.0760   -0.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7374    6.3789    0.8056 S   0  0  3  0  0  0  0  0  0  0  0  0
   23.8816    7.2256    1.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8002    4.8615    0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6915    4.0140    1.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9187    2.7244    1.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8363    1.9120    2.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0675    0.6145    2.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0022   -0.1785    3.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2402   -1.4891    3.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2107   -2.2384    4.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4605   -3.5661    4.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4699   -4.2485    6.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7124   -5.5746    6.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5528   -6.4168    7.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8746   -7.5222    7.5771 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5315   -7.8080    6.2141 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2243   -8.7419    5.8865 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4945  -10.0108    6.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0654   -8.0123    6.4058 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2386   -8.8304    4.4248 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.2990   -5.7738    9.0026 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.0979   -7.0460   10.2911 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7773   -8.2647    9.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7641   -9.2020   11.0723 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.6687  -10.3939   10.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7505  -11.3609   11.7641 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3179   -9.6138   11.3881 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2920  -10.6185   12.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  2  0  0  0  0
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  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
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  5 39  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 28  1  0  0  0  0
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M  END
$$$$

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2023-09-25, 1000👍, 0💬