Molecule Editor

Molecule ID: FYI-1006808 Edit

Molecule Structure InChIKey: TYEKDLAZIPAXSP-IRQHXVELSA-N

Molecule Structure SMILES String: CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CCCCN)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006808
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
   15.6749   13.5089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0523   11.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0119   12.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7612   10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4242   11.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1331    9.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7557   11.6353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7960   10.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7500   12.9332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5050    9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6148    7.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 N   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
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   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    4.9000    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
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    6.2713    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 20  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  1  0  0  0
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 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
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 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 58  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 19 24  1  1  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  1  0  0  0
 28 41  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
 37 27  1  0  0  0  0
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 39 37  1  0  0  0  0
 40 39  1  6  0  0  0
 41 48  1  0  0  0  0
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 48 59  1  0  0  0  0
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 58 57  1  1  0  0  0
 59 60  1  0  0  0  0
 60 58  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006808-3D
FYIcenter.com

117119  0  0  1  0  0  0  0  0999 V2000
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    9.3636    3.6939   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8685    3.7704    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1038    4.9773    1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711    5.2144    1.7901 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.6135    6.9489    0.5065 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5671    9.1434    1.9968 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.6059    7.9581    3.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0197   12.2130    4.0172 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.5275   16.0675    4.7147 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.0132   16.0270    4.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$