Molecule Editor

Molecule ID: FYI-1016520 Edit

Molecule Structure InChIKey: YQYRBYXNOJWQMX-CMOCDZPBSA-N

Molecule Structure SMILES String: NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016520
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
   20.3082    7.9030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8756    6.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0082    5.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1408    6.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7082    7.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5441    6.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5038    7.0756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2530    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1204    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4898    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   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
    6.0621    6.3000    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 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
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 34  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
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 34  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  1  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  1  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
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 31 30  2  0  0  0  0
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 33 32  1  1  0  0  0
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 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016520-3D
FYIcenter.com

 79 81  0  0  1  0  0  0  0  0999 V2000
    0.6081    3.2386    9.2357 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5052    2.0868    8.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0880    0.8624    4.5829 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1933    2.9524    4.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5504    2.1786    2.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4934    3.7570    5.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6681    5.0566    4.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3513    4.0355    0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5963    3.2942   -0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    5.4454    0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$