Molecule Editor

Molecule ID: FYI-1003234 Edit

Molecule Structure InChIKey: MPDDTAJMJCESGV-CTUHWIOQSA-M

Molecule Structure SMILES String: CC(C)c3c(C(=O)N(C)[C@H](C)c1ccccc1)nn(c2ccc(F)cc2)c3CC[C@@H](O)C[C@@H](O)CC(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1003234
FYIcenter.com

 38 40  0  0  1  0  0  0  0  0999 V2000
    5.6843    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7246    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562    0.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0965    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8055    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    3.7471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    3.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8770    6.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1305    3.6822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.2394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4739    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4336    2.3061    0.0000 C   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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
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 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 22  6  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  6  0  0  0
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 28 29  1  6  0  0  0
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 37  5  1  0  0  0  0
 38 37  2  0  0  0  0
 38  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003234-3D
FYIcenter.com

 73 75  0     1  0  0  0  0  0999 V2000
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   -1.0470   -2.2121   -0.2873 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1421   -1.3907    0.4709 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$