Molecule FYI-1007392

A

Molecule Summary:

ID: FYI-1007392
Names:
InChIKey: FJPHHBGPPJXISY-UHFFFAOYSA-N
SMILES: NCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC/N=C(N)/N)C(=O)O

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007392 Edit

Molecule Structure InChIKey: FJPHHBGPPJXISY-UHFFFAOYSA-N

Molecule Structure SMILES String: NCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC/N=C(N)/N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007392
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    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
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  1  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  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  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
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
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 22 20  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007392-3D
FYIcenter.com

 61 61  0  0  1  0  0  0  0  0999 V2000
    4.1154   -1.5605   -4.9265 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337   -2.9751   -4.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2922   -3.5486   -3.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5697   -4.7274   -3.3221 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4109   -2.6364   -2.4301 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -3.0310   -1.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4441   -2.8813   -1.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9763   -1.8062   -0.7625 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1624   -4.0190   -1.3218 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6308   -4.1022   -1.2546 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2029   -3.7708    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7785   -4.7318    1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1142   -6.7807    2.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0322   -6.4454    3.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650   -7.2301    4.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2983   -5.2890    3.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6640   -4.4369    2.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0858   -5.5214   -1.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2833   -6.4088   -1.9509 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4521   -5.7334   -1.6598 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0524   -7.0546   -1.8599 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7747   -7.5705   -3.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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 32 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 1318👍, 0💬