Molecule FYI-1003206

A

Molecule Summary:

ID: FYI-1003206
Names:
InChIKey: FPRPZZMAJHVATB-UHFFFAOYSA-M
SMILES: CCSC2CCC1S[NH+]([Co]Cl)C(NC(=O)OC)NC1C2

Received at FYIcenter.com on: 2023-05-24

Molecule ID: FYI-1003206 Edit

Molecule Structure InChIKey: FPRPZZMAJHVATB-UHFFFAOYSA-M

Molecule Structure SMILES String: CCSC2CCC1S[NH+]([Co]Cl)C(NC(=O)OC)NC1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003206
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.4871    8.4000    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003206-3D
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
    1.0710   -0.7216    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889   -0.7546    0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603   -0.6271   -1.6140 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8989   -0.7202   -1.4473 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5192   -0.6310   -2.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1142   -1.8425   -3.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455   -3.1523   -3.0301 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8960   -4.5140   -4.0310 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5216   -5.7643   -2.9554 N   0  3  3  0  0  0  0  0  0  0  0  0
    7.4916   -5.7638   -2.9551 Co  0  0  0  0  0  0  0  0  0  0  0  0
    9.7716   -5.7632   -2.9548 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0019   -5.6983   -1.5867 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4599   -6.8706   -0.8560 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053   -7.1271    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173   -8.1469    0.9692 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3005   -6.2710    1.1070 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081   -6.4733    2.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4753   -4.4760   -0.9236 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9841   -3.2598   -1.5927 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3993   -2.0228   -0.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.7938    1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394   -1.5809   -0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795    0.2239   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9118   -1.7236    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0091    0.1024    0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2418    0.1607   -0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6285   -0.6004   -2.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1886    0.3029   -3.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5806   -1.7698   -4.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -1.8456   -3.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6579   -3.1850   -3.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155   -6.6736   -3.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8881   -5.7125   -1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0702   -7.5514   -1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   -5.6285    2.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7994   -6.5249    3.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3282   -7.4180    2.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227   -4.4761   -0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717   -3.2925   -1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5100   -1.9860   -0.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251   -2.1049    0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1421👍, 0💬