Molecule Editor

Molecule ID: FYI-1012451 Edit

Molecule Structure InChIKey: UOCJDOLVGGIYIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc1cn[nH]n1)CSC23)c4ccc(O)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012451
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
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    0.0000    3.7464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790    1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2891    0.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6312    0.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2589    3.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6212    1.6694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9734    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4752    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8732    0.0734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2357    1.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0615    2.1880    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  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 17 16  2  0  0  0  0
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 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  1  0  0  0  0
 22  3  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012451-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
   -0.8410    1.9009   -1.1428 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3164    0.1540   -1.1171 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874   -2.4484   -0.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040   -2.0322    1.9029 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    2.1664   -0.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -2.6457   -0.2869 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6829   -1.3441   -1.6257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204   -0.4311    0.1263 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591    0.0437    0.4214 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7953    2.2592    1.8642 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1277   -0.0105   -0.3656 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2395   -1.2487   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4558    1.9360   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4539    0.5726    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132    1.1479    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5794    0.3369    0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9074   -0.7580   -2.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 16  2  0  0  0  0
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 31 47  1  0  0  0  0
M  END
$$$$