Molecule FYI-1001699

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Molecule Summary:

ID: FYI-1001699
SMILES: c1cc2c(c(c1)S(=O)(=O)Nc3ccsc3C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)nsn2

Received at FYIcenter.com on: 2022-11-10

Molecule ID: FYI-1001699 Edit

Molecule Structure SMILES String: c1cc2c(c(c1)S(=O)(=O)Nc3ccsc3C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)nsn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001699
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
   13.3552    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6867    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7271    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4360    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1045    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0642    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8134    4.1082    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2460    5.4397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1828    4.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4819    4.5409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    5.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    6.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    8.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    7.8720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.3797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.4797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.6797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6484    3.0062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6888    2.0694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1194    0.7904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  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
 15 14  1  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  6  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 19  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30  4  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001699-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
   -5.3627    5.4641   -4.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1826    5.4490   -5.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1008    4.7083   -5.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2318    3.9799   -3.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4435    4.0265   -2.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4937    4.7825   -3.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6155    3.1906   -1.4479 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8380    3.5993   -0.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3162    1.7938   -1.6697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742    3.8159   -0.4798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4152    5.1439   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7358    6.1548   -0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9042    7.4155   -0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8607    7.3927    1.1328 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0294    5.6693    1.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7847    5.0690    2.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2056    5.7204    3.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0170    3.7135    2.1136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8409    2.9135    3.0315 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0715    3.6410    3.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0335    4.2472    2.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7839    3.2290    1.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6841    3.9043    0.8431 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4171    4.1993   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3336    4.1308   -1.1225 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4883    4.6728   -1.0955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2169    1.6070    2.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8129    1.3230    1.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0306    0.7739    2.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9969    3.6171   -4.5562 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8901    4.5784   -5.5714 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1757    2.6105    3.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7289    4.4453    4.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6342    2.9805    4.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5077    4.9457    1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7673    4.8562    3.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3579    2.5522    2.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1118    2.5921    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6562    3.8630    1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5529    3.7637   -0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0058    5.3390   -0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1580    5.0802   -1.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2518    1.0405    3.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 19 40  1  1  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-21, 1821👍, 0💬