Molecule Editor

Molecule ID: FYI-1002985 Edit

Molecule Structure InChIKey: KDGPICQIDWPGDU-IVXOHGEOSA-N

Molecule Structure SMILES String: CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002985
FYIcenter.com

 58 59  0  0  1  0  0  0  0  0999 V2000
   16.4972   20.0025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6226    3.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7096   17.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2848   17.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723   18.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2848   16.5025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723   15.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8599   16.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6475   15.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0723   11.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2848   12.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723   10.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4350    9.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2396    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4350    8.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6475    7.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6475    6.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8599    5.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723    6.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723    7.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8599    8.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2226   10.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2226   11.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    9.5025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7977   10.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9888    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3728   10.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
  3 18  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  6  0  0  0
  9 18  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  1  0  0  0
 18 54  1  0  0  0  0
 19 17  1  0  0  0  0
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 23 22  2  0  0  0  0
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 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
 34 25  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  6  0  0  0
 38 47  2  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
 43 37  1  0  0  0  0
 44 43  2  0  0  0  0
 45 43  1  0  0  0  0
 46 45  1  0  0  0  0
 47 55  1  0  0  0  0
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 54 53  1  1  0  0  0
 55 58  1  0  0  0  0
 56 54  1  0  0  0  0
 57 56  1  0  0  0  0
 58 57  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002985-3D
FYIcenter.com

113114  0  0  1  0  0  0  0  0999 V2000
    5.6415    2.0936   -1.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0633    1.8449   -2.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0069    0.7500   -3.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0525    1.5056   -0.9046 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.3226    2.5147    1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2709    1.4276    1.9429 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4886    3.8349    2.1686 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1514    4.5595    2.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975    5.2116    1.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4564    5.8774    1.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0544    5.7656    2.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6024    6.1760    3.3076 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2481    6.4326    1.5280 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.2429    7.8840    1.7838 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4790    1.2675   -1.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0834    2.1647   -2.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307    0.0203   -1.2566 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3498   -0.4149   -1.7756 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.8249    0.5839    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3022   -3.7927   -1.3083 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$