Molecule FYI-1002955

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A

Molecule Summary:

ID: FYI-1002955
Names:
InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N
SMILES: C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O

Received at FYIcenter.com on: 2023-05-01

Molecule ID: FYI-1002955 Edit

Molecule Structure InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002955
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    5.3794    4.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4198    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1286    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7512    4.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
  6 10  1  6  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002955-3D
FYIcenter.com

 29 29  0     1  0  0  0  0  0999 V2000
   -3.5125    0.2892    1.7967 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9991    1.5602    0.2378 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324    1.9486    0.3425 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858    0.7789   -1.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193   -0.4047    0.1328 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263    0.1139    0.7629 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2349   -1.1252    1.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8157   -2.1470    0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450   -1.8319   -0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9306    0.3558   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1401   -0.3862   -0.5226 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1306    0.9563   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4278    0.2636   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798   -0.3717   -2.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1545    0.7257    1.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338   -1.4843    2.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3163   -0.9591    1.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3832   -1.9843   -0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799   -3.1798    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0233   -2.0789   -1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2771   -2.3764    0.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1356   -1.4257   -0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5199    1.2963   -0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2986   -0.2878   -0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442   -0.7792   -2.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9028   -0.9580   -2.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1664    0.6504   -2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3024    2.5110   -0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4669   -1.0396    1.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 29  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
$$$$

✍: FYIcenter.com

2023-05-31, 1637👍, 0💬