Molecule FYI-1008216

A

Molecule Summary:

ID: FYI-1008216
Names:
InChIKey: GHEBZFJDHSDWHH-FJZPUVQESA-N
SMILES: NC(=O)C[C@H](NC(=O)c2ccc1cc(N)ccc1n2)C(=O)N[C@@H](Cc3ccccc3N)[C@H](O)CN5CC4CCCCC4C[C@H]5C(N)=O

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008216 Edit

Molecule Structure InChIKey: GHEBZFJDHSDWHH-FJZPUVQESA-N

Molecule Structure SMILES String: NC(=O)C[C@H](NC(=O)c2ccc1cc(N)ccc1n2)C(=O)N[C@@H](Cc3ccccc3N)[C@H](O)CN5CC4CCCCC4C[C@H]5C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008216
FYIcenter.com

 47 51  0  0  0  0  0  0  0  0999 V2000
    6.3063   10.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3063   11.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939   12.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8814   11.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8814   10.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939    9.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5188    9.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7312   10.2330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7312   11.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5188   12.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105    9.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    8.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9765    7.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4065    7.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6601    7.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8267    7.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7397    5.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9063    4.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1599    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2469    6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0803    7.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3459    5.8902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1994    5.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3219    3.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5910    3.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7135    1.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0390    5.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0988    3.0109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4702    1.0628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0064    1.1692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8599    3.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7704    5.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    2.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4498    3.3955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3220    2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4763    1.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7585    0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8864    1.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    3.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119    2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    0.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3485    0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   12.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2062   11.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8943   13.7776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1315    9.1606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 16 17  1  0  0  0  0
 14 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  6  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 33 34  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 36 42  2  0  0  0  0
 35 39  2  0  0  0  0
  9 43  1  1  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 21 46  1  0  0  0  0
 41 47  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-15, 941👍, 0💬