Molecule FYI-1003149

A

Molecule Summary:

ID: FYI-1003149
Names:
InChIKey: FFKYUQTWXGNCBD-BTVLKPQRSA-N
SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

Received at FYIcenter.com on: 2023-05-15

Molecule ID: FYI-1003149 Edit

Molecule Structure InChIKey: FFKYUQTWXGNCBD-BTVLKPQRSA-N

Molecule Structure SMILES String: C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003149
FYIcenter.com

 54 53  0  0  1  0  0  0  0  0999 V2000
   29.0985    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8239    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.0000    0.0000 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 12  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  6  0  0  0
 10 12  2  0  0  0  0
 11  9  1  0  0  0  0
 12 52  1  0  0  0  0
 11 13  1  1  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  1  0  0  0
 19 27  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  6  0  0  0
 25 27  2  0  0  0  0
 26 24  1  0  0  0  0
 27 34  1  0  0  0  0
 26 28  1  1  0  0  0
 29 26  1  0  0  0  0
 30 24  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  1  0  0  0
 34 46  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 42 33  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  6  0  0  0
 46 53  1  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  0  0  0  0
 49 45  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 52 51  1  6  0  0  0
 53 54  1  0  0  0  0
 54 52  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-06-12, 2038👍, 0💬