Molecule Editor

Molecule ID: FYI-1004791 Edit

Molecule Structure InChIKey: ULSSJYNJIZWPSB-CVRXJBIPSA-N

Molecule Structure SMILES String: C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]4C(=O)N(C)c2ccccc2c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004791
FYIcenter.com

 35 38  0  0  1  0  0  0  0  0999 V2000
    6.0621    1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.4058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5447    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5709    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9087    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2202    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1940    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0054    5.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5948    4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917    5.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.1058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    4.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4058    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  6  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
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 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
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 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
  2 23  1  6  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
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 32 27  1  0  0  0  0
 33 31  1  0  0  0  0
 34 29  1  0  0  0  0
 26 35  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004791-3D
FYIcenter.com

 58 61  0     1  0  0  0  0  0999 V2000
   -3.1661    3.3009    0.9793 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2276    2.1505   -2.4460 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1935   -3.0013   -0.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -0.2109   -1.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1827   -1.3587    1.9293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7015   -2.2887    1.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3638   -1.0298   -0.8568 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069   -1.8330   -0.4365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7463   -1.9707   -0.7065 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9454   -0.9628   -0.2745 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0613   -0.3271    1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007    0.7122    1.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866    1.2332    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2115   -1.7681   -0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4539    0.4109   -0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258   -0.7852    2.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4443   -2.5067   -1.0045 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1726    1.2561    2.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301   -1.3779   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    2.6377   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    1.0300   -1.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5402   -1.7785   -1.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$