Molecule Editor

Molecule ID: FYI-1014338 Edit

Molecule Structure InChIKey: MMHJXSXOWZFGSK-CMMZZUHUSA-N

Molecule Structure SMILES String: O=C4C[C@H](NC(=O)[C@@H]3CC[C@@H]2C/C=C\C[C@H](NC(=O)c1ccccc1)C(=O)N23)C(O)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014338
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    7.0956    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3080    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5204    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7328    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7328    4.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5204    5.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3080    4.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    5.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372    6.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2229    6.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    7.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326    7.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0693    9.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7495    9.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973    8.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3519   11.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    6.9446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
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 15 16  1  1  0  0  0
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 17 10  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  1  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  1  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 25  1  0  0  0  0
 30 28  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014338-3D
FYIcenter.com

 56 59  0     1  0  0  0  0  0999 V2000
   -0.2309   -0.7177   -0.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5756    1.3296    0.8634 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5517   -2.6080   -0.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960   -1.0265    0.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282   -4.1828    0.4674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5415    1.4884    0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529    1.4365   -0.7542 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5909   -0.2444   -0.5192 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7446    0.0328    0.1979 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2415    2.8811   -0.9789 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7181    1.0025   -1.3408 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6079    3.3809   -1.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4572    0.4965   -0.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549    0.7256   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.0444    0.3649 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.5042    1.3378    1.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207   -0.6774    0.3969 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3898    2.2686    2.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$