Molecule FYI-1015830

A

Molecule Summary:

ID: FYI-1015830
Names:
InChIKey: QEJRGURBLQWEOU-FKBYEOEOSA-N
SMILES: CCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

Received at FYIcenter.com on: 2025-10-17

Molecule ID: FYI-1015830 Edit

Molecule Structure InChIKey: QEJRGURBLQWEOU-FKBYEOEOSA-N

Molecule Structure SMILES String: CCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015830
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   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
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  4  7  1  1  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 10 15  1  1  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 18 23  1  1  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  1  0  0  0  0
 29 28  2  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
 33 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015830-3D
FYIcenter.com

 72 72  0  0  1  0  0  0  0  0999 V2000
    9.4178   10.2281    4.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8124    8.8355    4.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8031    7.7535    3.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377    6.3347    3.9817 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0835    6.1343    2.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2221    5.8361    1.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2715    5.3384    3.7146 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0731    4.0044    4.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0810    3.6332    4.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1441    3.0234    3.4596 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.2619    4.0152    1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9652    1.6906    4.0505 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3173    1.3145    5.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9620    2.0410    6.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8635   -0.1296    5.7118 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4410   -0.0051    4.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7811   -0.8878    3.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9461   -0.1357    4.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5650   -0.5166    6.9416 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8096   -1.8121    7.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4964   -2.7737    6.5989 O   0  0  0  0  0  0  0  0  0  0  0  0
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 33 72  1  0  0  0  0
M  END
$$$$

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2025-10-24, 298👍, 0💬