Molecule Editor

Molecule ID: FYI-1004140 Edit

Molecule Structure InChIKey: PGHBDPQSAHVNTH-VBIGXXNLSA-N

Molecule Structure SMILES String: N[C@@H](CC[C@H](N)C(=O)O)C[C@H]3O[C@@H](N2CNC1C(N)NCNC12)[C@H](O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004140
FYIcenter.com

 27 29  0  0  1  0  0  0  0  0999 V2000
   10.6604    2.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8728    4.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0852    3.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2976    4.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2976    5.6802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5101    3.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7225    4.2802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5101    2.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4115    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    0.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    2.2152    0.0000 C   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
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 16 14  1  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  1  0  0  0
 13 18  1  6  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 18  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004140-3D
FYIcenter.com

 58 60  0  0  1  0  0  0  0  0999 V2000
    5.3619   -4.6137   -0.7914 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188   -4.5573   -2.1026 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5349   -3.1219   -2.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1644   -2.8731   -3.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$