Molecule FYI-1010083

A

Molecule Summary:

ID: FYI-1010083
Names:
InChIKey: ZWONNOHHKDDHBV-IEVWSOLKSA-N
SMILES: COCC(=O)N[C@@H](C(=O)N1N=CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](C)C(=O)N[C@@H]3CNC(=O)NC3=O)[C@H](O)C(C)C

Received at FYIcenter.com on: 2024-05-28

Molecule ID: FYI-1010083 Edit

Molecule Structure InChIKey: ZWONNOHHKDDHBV-IEVWSOLKSA-N

Molecule Structure SMILES String: COCC(=O)N[C@@H](C(=O)N1N=CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](C)C(=O)N[C@@H]3CNC(=O)NC3=O)[C@H](O)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010083
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   11.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
  4 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 24 28  1  6  0  0  0
 23 29  1  1  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
  3 35  1  6  0  0  0
 36  2  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  6  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  0  0  0  0
 45 39  1  0  0  0  0
 46 45  2  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-06-03, 1366👍, 0💬