Molecule Editor

Molecule ID: FYI-1003227 Edit

Molecule Structure InChIKey: KIQUCMUULDXTAZ-HJOGWXRNSA-N

Molecule Structure SMILES String: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003227
FYIcenter.com

 36 38  0  0  1  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 N   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
   12.1244    6.3000    0.0000 O   0  0  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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   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
    6.0621    4.2000    0.0000 O   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
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    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   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
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 28  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  1  0  0  0
 15 28  2  0  0  0  0
 16 14  1  0  0  0  0
 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 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
 24 14  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  6  0  0  0
 28 27  1  0  0  0  0
 29 27  1  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
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  2  0  0  0  0
 36 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003227-3D
FYIcenter.com

 65 67  0     1  0  0  0  0  0999 V2000
    0.5702   -0.5751   -1.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.0981    1.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841   -4.5141   -1.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -5.3397   -1.9713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4751    0.9458    1.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    0.6888    3.1398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253    1.1170   -0.3535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023   -2.3242   -0.3877 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    3.9205    1.5357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4002   -0.2767   -0.3755 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6274   -0.4733   -1.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435   -3.2396   -0.7781 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2006   -1.0467   -0.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776    3.1701    0.5205 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7789   -3.6740    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9221   -0.0954   -0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4284    3.4273    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156   -2.5120    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2089    3.1145   -0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -4.4624   -1.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4026    1.2109   -0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6359   -1.0519    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6840   -2.0679    0.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$