Molecule FYI-1013791

A

Molecule Summary:

ID: FYI-1013791
Names:
InChIKey: ZVMZNHYKVZOANX-OJOKCITNSA-N
SMILES: CCCN3C(=O)[C@@H]2[C@@H]1CC[C@@H](O1)[C@@H]2C3=O

Received at FYIcenter.com on: 2025-01-25

Molecule ID: FYI-1013791 Edit

Molecule Structure InChIKey: ZVMZNHYKVZOANX-OJOKCITNSA-N

Molecule Structure SMILES String: CCCN3C(=O)[C@@H]2[C@@H]1CC[C@@H](O1)[C@@H]2C3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013791
FYIcenter.com

 15 17  0  0  1  0  0  0  0  0999 V2000
    8.2667    3.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1059    3.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    3.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7842    3.1491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598    3.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810    5.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628    2.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3330    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6442    1.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6402    0.9191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    0.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518    2.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    1.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  7  5  1  6  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  7  1  0  0  0  0
 14 15  1  1  0  0  0
 11 15  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013791-3D
FYIcenter.com

 30 32  0     1  0  0  0  0  0999 V2000
    3.0568   -0.0186    0.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    2.3352   -0.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6806   -2.2966   -0.7087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0174    0.0219   -0.6995 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1788    0.7749   -0.9055 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1681   -0.7590   -0.9246 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1094    1.0744    0.2703 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0937   -1.1009    0.2433 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5028    0.7390    1.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918   -0.7907    1.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616    1.1775   -0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2780   -1.1435   -0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4580    0.0226   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8749   -0.0074    0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3861   -0.0289    1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780    1.1623   -1.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618   -1.1286   -1.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986    2.0500    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -2.0818    0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5159    1.1770    1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    1.0834    2.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477   -1.1645    2.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986   -1.2187    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -0.8525   -1.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8618    0.9217   -1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4441   -0.8892    1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635    0.8667    1.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8451    0.8603    0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8234   -0.9142    0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6404   -0.0494    2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

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