Molecule FYI-1008078

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A

Molecule Summary:

ID: FYI-1008078
Names:
InChIKey: NIMJOZVSLAEJSX-RQJHMYQMSA-N
SMILES: C[C@H](CCl)C(=O)N1CCC[C@H]1C(=O)O

Received at FYIcenter.com on: 2024-04-12

Molecule ID: FYI-1008078 Edit

Molecule Structure InChIKey: NIMJOZVSLAEJSX-RQJHMYQMSA-N

Molecule Structure SMILES String: C[C@H](CCl)C(=O)N1CCC[C@H]1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008078
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    2.9239    4.7761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4451    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0664    3.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450    2.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7237    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2697    5.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3186    6.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0030    7.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7419    5.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0847    7.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7984    0.0000 O   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  2  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  1  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008078-3D
FYIcenter.com

 28 28  0     1  0  0  0  0  0999 V2000
   -4.7998   -0.2182    0.2493 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446    1.6240    0.6367 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876    1.8004    0.2829 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526    0.8359   -1.5044 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3253   -0.3850    0.2179 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6309    0.0119    0.7289 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3985   -1.2955    0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896   -2.1967   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3249   -1.7861   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7834    0.4445    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0907   -0.1851   -0.1275 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2563    0.9032   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144    0.4765    0.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2328   -0.0299   -1.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5067    0.5580    1.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1993   -1.7246    1.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811   -1.1876    0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485   -1.9828   -1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -3.2609    0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1354   -1.9217   -1.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371   -2.3595    0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969   -1.2497    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679    0.3465    1.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2787    1.5510    0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3323   -0.3391   -2.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4178    1.0163   -1.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0645   -0.6276   -2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5087    2.3928   -0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 28  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
$$$$

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2024-07-25, 690👍, 0💬