Molecule FYI-1012319

A

Molecule Summary:

ID: FYI-1012319
Names:
InChIKey: VQTCPLBZHRUXFO-NCOADZHNSA-N
SMILES: N[C@]1(O)C[C@@H]1CC[C@@H]2C[C@H]2CCCCC3CCCC3

Received at FYIcenter.com on: 2024-08-27

Molecule ID: FYI-1012319 Edit

Molecule Structure InChIKey: VQTCPLBZHRUXFO-NCOADZHNSA-N

Molecule Structure SMILES String: N[C@]1(O)C[C@@H]1CC[C@@H]2C[C@H]2CCCCC3CCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012319
FYIcenter.com

 19 21  0  0  1  0  0  0  0  0999 V2000
   12.1029    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8029    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5029    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5029    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1029    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    5.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9780    6.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    5.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    5.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 10 11  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012319-3D
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
   -0.7546   -2.5619    0.6494 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4219   -1.7336    0.6567 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0564   -1.6858    1.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616   -0.4845   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -1.6495   -0.5211 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1043   -2.4213   -1.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101   -3.6526   -1.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7714   -4.4332   -3.1224 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6002   -5.6597   -3.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957   -4.4157   -4.2331 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3560   -4.3686   -5.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1918   -5.3161   -6.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001   -5.2933   -8.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0812   -3.9466   -8.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -3.9503  -10.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0175   -2.5950  -10.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1769   -2.5983  -12.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1181   -3.6839  -11.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673   -4.1695  -10.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3423   -2.3612    1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9414    0.3939    0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781   -0.2636   -0.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0552   -2.7303   -1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274   -4.3011   -0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600   -3.3385   -1.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179   -4.5046   -3.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992   -6.5117   -3.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882   -5.9288   -2.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178   -3.8635   -4.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933   -4.6229   -5.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7394   -5.5528   -8.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1403   -3.6917   -8.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -3.1566   -8.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6378   -3.5674   -9.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 21  1  0  0  0  0
  2  3  1  1  0  0  0
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  2  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
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  5 25  1  1  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  6  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 38  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
M  END
$$$$

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2024-09-28, 887👍, 0💬