Molecule FYI-1014481

A

Molecule Summary:

ID: FYI-1014481
Names:
InChIKey: HGKHPCFTRQDHCU-IUCAKERBSA-N
SMILES: N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

Received at FYIcenter.com on: 2025-04-21

Molecule ID: FYI-1014481 Edit

Molecule Structure InChIKey: HGKHPCFTRQDHCU-IUCAKERBSA-N

Molecule Structure SMILES String: N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014481
FYIcenter.com

 23 23  0  0  1  0  0  0  0  0999 V2000
    8.7388    0.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7388    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1636    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3760    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5886    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8010    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0134    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8010    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5263    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5263    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3139    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0350    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0981    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1676    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7843    4.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    4.0548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    3.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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  9  8  2  0  0  0  0
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 20 19  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014481-3D
FYIcenter.com

 47 47  0     1  0  0  0  0  0999 V2000
    0.2752   -0.6432    1.7553 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718    0.5384   -1.3723 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744    2.9192    1.3192 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6773    4.8087    0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -1.6990    0.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0940    1.4838    0.1137 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7332   -3.2733    2.0881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.4262   -0.1184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7007    0.9650   -1.3050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2213    1.9604    0.6885 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6801   -0.8733    0.2018 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7538   -1.6392   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9601   -2.4045   -1.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6707   -2.7626   -0.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3976   -1.5555    0.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
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  3 43  1  0  0  0  0
  4 22  2  0  0  0  0
  5 11  1  0  0  0  0
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 16 31  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1242👍, 0💬