Molecule FYI-1010707

A

Molecule Summary:

ID: FYI-1010707
Names:
InChIKey: LKJYXENXTNWLAJ-JAJWTYFOSA-N
SMILES: CC(=O)N[C@H]1[C@H](N)O[C@H](CN)[C@@H](N)[C@@H]1N

Received at FYIcenter.com on: 2024-07-04

Molecule ID: FYI-1010707 Edit

Molecule Structure InChIKey: LKJYXENXTNWLAJ-JAJWTYFOSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1010707
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   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
  5  4  1  6  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
 14  5  1  0  0  0  0
 14 15  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010707-3D
FYIcenter.com

 34 34  0  0  1  0  0  0  0  0999 V2000
    6.5622   -1.7400    1.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3467   -1.0448    0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2681   -0.6104   -0.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0241   -0.9676    0.1808 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935   -0.4114   -1.1223 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9470    1.1003   -1.2893 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1696    1.9026   -0.3491 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    1.5967   -2.5845 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897    0.8528   -3.6436 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0484    1.6482   -4.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6236    3.0006   -4.8521 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948   -0.5772   -3.6670 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0828   -1.4023   -4.8201 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1045   -1.2567   -2.3216 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6522   -2.6652   -2.2258 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6079   -1.6410    2.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3204   -2.8024    1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9338   -1.2872    2.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3115   -1.3454    0.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942   -0.4983   -1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0098    1.2698   -1.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0320    1.3898    0.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7080    2.7356   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3722    0.8113   -3.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931    1.1466   -5.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736    1.7557   -5.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6255    2.9268   -4.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2441    3.4212   -3.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5992   -0.4993   -3.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.6026   -4.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8692   -0.9472   -5.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2004   -1.2989   -2.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572   -2.7190   -2.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7951   -3.0011   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5  4  1  0  0  0  0
  5 20  1  6  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  1  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  1  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  6  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  1  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
$$$$

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