Molecule Editor

Molecule ID: FYI-1013490 Edit

Molecule Structure InChIKey: KVDGSAKPTQMSHH-ULQDDVLXSA-N

Molecule Structure SMILES String: CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013490
FYIcenter.com

 34 34  0  0  1  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 N   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
   16.9742    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
   15.7616    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
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   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 26  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
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 13 11  1  0  0  0  0
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 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  6  0  0  0
 26 25  1  0  0  0  0
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 28 27  1  0  0  0  0
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 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 34 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013490-3D
FYIcenter.com

 66 66  0  0  1  0  0  0  0  0999 V2000
    5.6991   -2.7703    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4438   -2.9227   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415   -3.8440    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670   -1.5717   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515   -0.5758   -1.5010 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8927    0.6754   -1.7150 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571   -1.1442   -2.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359   -1.5276   -3.7088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4062   -1.0981   -3.1391 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0065   -1.5173   -4.4107 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.1664    0.6233   -8.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188   -0.1504   -8.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2912   -1.9711   -5.2260 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7446   -1.9904   -5.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2026   -3.4175   -5.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4084   -4.3289   -5.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$