Molecule Editor

Molecule ID: FYI-1003576 Edit

Molecule Structure InChIKey: UMPSLYUNIGKGHD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CC(NC(=O)C(C)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC(=O)C([NH3+])Cc3ccccc3)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1003576
FYIcenter.com

 61 63  0  0  0  0  0  0  0  0999 V2000
   29.0985   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.6736   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   13.3000    0.0000 O   0  5  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  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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 22  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 33  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
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 46 41  1  0  0  0  0
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 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
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 58 57  2  0  0  0  0
 58 53  1  0  0  0  0
 59  5  1  0  0  0  0
 60 59  2  0  0  0  0
 61 59  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003576-3D
FYIcenter.com

117119  0  0  1  0  0  0  0  0999 V2000
   10.7340    2.8029    5.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8177    3.8851    6.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9498    5.1537    5.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3423    3.4385    6.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    2.2394    7.1420 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4472    2.5459    8.5306 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6183    2.1379    9.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4965    1.4915    8.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7030    2.5578   10.6050 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0676    2.2131   11.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4063    3.9850   10.6907 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8293    4.5765   11.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6099    3.9952   12.8219 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6261    6.1052   11.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8028    6.5297   10.5206 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3352    6.9183    9.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5455    6.9320    9.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3328    7.3218    8.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6593    8.5946    8.4346 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5553    8.6907    9.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2999    7.7974   10.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507   10.0579    9.2363 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3344   10.0469    8.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7387    9.2835    7.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$