Molecule FYI-1015312

A

Molecule Summary:

ID: FYI-1015312
Names:
InChIKey: VWFSAVXYNTWFOV-UHFFFAOYSA-N
SMILES: CC(C)CCN2NCC(O)=C(CNc1ccc(NS(C)(=O)=O)cc1S(=O)=O)C2=O

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015312 Edit

Molecule Structure InChIKey: VWFSAVXYNTWFOV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCN2NCC(O)=C(CNc1ccc(NS(C)(=O)=O)cc1S(=O)=O)C2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015312
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9746    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 29  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015312-3D
FYIcenter.com

 55 56  0  0  0  0  0  0  0  0999 V2000
    7.2228   -0.4136    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8606    1.0387   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5484    1.4949   -1.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3362    1.1811   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7816    3.0117    2.0653 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7376    3.2461    4.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6078    0.4042    7.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3829    0.0631    8.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6902    1.0244    9.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9281    0.5853   11.2793 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911   -1.1210   10.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6155    1.4432   10.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2674    2.3312    9.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7678   -0.1801    3.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
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  2 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
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 17 23  2  0  0  0  0
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 25 27  2  0  0  0  0
 25 55  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$

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2025-08-18, 465👍, 0💬