Molecule Editor

Molecule ID: FYI-1014939 Edit

Molecule Structure InChIKey: VUEDMHJDUUBAOY-ULQDDVLXSA-N

Molecule Structure SMILES String: CSCC[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014939
FYIcenter.com

 35 35  0  0  1  0  0  0  0  0999 V2000
   19.3990    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 N   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
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  1  0  0  0
  7 35  1  0  0  0  0
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  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
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 15 14  1  6  0  0  0
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 17 16  1  0  0  0  0
 18 17  2  0  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
 22 17  1  0  0  0  0
 23 15  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  6  0  0  0
 27 35  2  0  0  0  0
 28 26  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  2  0  0  0  0
 34 32  1  0  0  0  0
 35 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014939-3D
FYIcenter.com

 70 70  0  0  1  0  0  0  0  0999 V2000
    1.4227   -0.1872    6.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    0.0223    6.5793 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522   -0.6329    4.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9570   -0.6633    4.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800   -1.1744    3.2507 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9483   -2.5477    3.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094   -2.8695    2.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914   -2.0405    1.3975 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -4.3705    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9694   -5.1450    1.8946 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163   -1.0976    3.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4198   -0.9782    1.9241 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -1.3018    4.1610 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1505   -1.3256    4.1825 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8183   -0.0220    3.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5475    1.2206    4.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3700    1.5631    5.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    2.7783    6.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2037    3.6623    5.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3547    3.3156    4.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5195    2.0977    4.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5683   -1.7154    5.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7359   -1.8881    6.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9136   -1.8730    5.8330 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4794   -2.1125    7.1639 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1045   -3.5026    7.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3700   -4.6851    6.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8517   -4.9300    6.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0353   -6.0469    5.6029 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2503   -6.4491    5.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$