Molecule Editor

Molecule ID: FYI-1006102 Edit

Molecule Structure InChIKey: DSUASFJKAPSTTL-QGZPSTLZSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006102
FYIcenter.com

 59 58  0  0  1  0  0  0  0  0999 V2000
   29.0984    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4610    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4610    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2486    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2486    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0362    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0362    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4610    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 N   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
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2486    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  6  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  1  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  2  0  0  0  0
 35 27  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  6  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 38 40  1  6  0  0  0
 41 37  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  6  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
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 51 43  1  0  0  0  0
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 53 51  2  0  0  0  0
 54 41  2  0  0  0  0
 55 35  2  0  0  0  0
 56 25  2  0  0  0  0
 57 21  2  0  0  0  0
 58 11  2  0  0  0  0
 59  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006102-3D
FYIcenter.com

123122  0  0  1  0  0  0  0  0999 V2000
   18.7420    5.5556   -9.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3348    6.1176   -9.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4069    7.2961  -10.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5904    6.4969   -8.5255 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.4608    8.5582   -7.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2315    8.5395   -7.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2858    9.6443   -6.3895 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4808   10.8915   -6.2929 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6811    9.1864   -4.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8380    7.7776   -4.9674 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4964    5.2691   -7.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6623    4.2576   -8.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5066    2.9891   -7.2862 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5572    3.1256   -6.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2458    3.6641   -5.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8776    3.9897   -5.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9165    3.1064   -5.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9670    1.8267   -5.9037 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7682    3.7219   -6.2563 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6402   -7.7943   -8.8858 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$