Molecule Editor

Molecule ID: FYI-1005445 Edit

Molecule Structure InChIKey: WXLGZCMYJYVNOV-PRABGMNFSA-N

Molecule Structure SMILES String: CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(Cc3ccc2ccccc2c3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N(C)CC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005445
FYIcenter.com

 61 65  0  0  1  0  0  0  0  0999 V2000
   21.8238    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4029    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0335    2.5165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3335    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2703    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 28 19  1  0  0  0  0
 29 17  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  1  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  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 32  1  0  0  0  0
 41 40  2  0  0  0  0
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 43 42  1  6  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
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 51 50  2  0  0  0  0
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 53 52  2  0  0  0  0
 53 45  1  0  0  0  0
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 58 56  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 59  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005445-3D
FYIcenter.com

115119  0  0  1  0  0  0  0  0999 V2000
    3.1197   -0.2694   -2.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450   -0.6891   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717   -2.2054   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4617   -2.9144   -1.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183   -3.7888   -2.0563 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6907   -2.5348   -0.7263 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632   -3.1387   -1.1652 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.8472   -0.9041   -1.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1979   -0.6764   -3.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7608    0.5898   -3.5674 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3884   -4.3268   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7545   -4.6639    0.7533 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3733   -8.5647   -4.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3487   -5.5832    6.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1519   -6.1698    7.4657 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4535   -8.5097    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6797   -9.4287    1.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4865   -9.9871    1.2473 C   0  0  1  0  0  0  0  0  0  0  0  0
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   17.0503   -8.3684    3.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$