Molecule FYI-1002233

A

Molecule Summary:

ID: FYI-1002233
Names:
InChIKey: ZSSTVQVMQBQHSJ-FRSCJGFNSA-N
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Received at FYIcenter.com on: 2023-02-07

Molecule ID: FYI-1002233 Edit

Molecule Structure InChIKey: ZSSTVQVMQBQHSJ-FRSCJGFNSA-N

Molecule Structure SMILES String: CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002233
FYIcenter.com

 58 59  0  0  1  0  0  0  0  0999 V2000
   11.0124   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7494   10.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4373   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2248    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.7436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405   11.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1239   19.1580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3750    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9503    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1626    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1626    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4958   18.6538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1616    8.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7898    9.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3719   12.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6631   13.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8733   16.8518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 21  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
 10  8  1  0  0  0  0
 11 10  1  1  0  0  0
 12 21  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  1  0  0  0
 21 53  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
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 28 26  1  0  0  0  0
 29 28  1  1  0  0  0
 30 54  1  0  0  0  0
 31 29  1  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 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 37 32  1  0  0  0  0
 38 29  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 54  2  0  0  0  0
 43 41  1  0  0  0  0
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 56 55  1  0  0  0  0
 57 56  1  0  0  0  0
 58 57  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002233-3D
FYIcenter.com

113114  0  0  1  0  0  0  0  0999 V2000
    2.9651    6.4037    2.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2887    5.9555    1.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    6.0661    0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4448    6.7537    0.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8231    6.6965    1.3589 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.3120    5.2421    1.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5122    4.5779    0.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0478    3.4041    2.9371 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5539    2.2812    1.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2987    2.2352    2.7629 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3017    4.4213    3.4435 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7722    4.5196    3.4751 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3343    4.8102    2.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8439    6.1578    1.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7773    6.8300    0.8728 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7243    6.6151    1.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1574    5.6435    4.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.4552    7.0739   10.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9760    9.8418    9.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2952    8.4089   12.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6629    9.3434   12.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-02-28, 1961👍, 0💬