Molecule FYI-1000274

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Molecule Summary:

ID: FYI-1000274
SMILES: N[C@@H](CCCCNOC(=O)[C@@H](N)CCC(=O)O)C(=O)O

Received at FYIcenter.com on: 2021-02-27

Molecule ID: FYI-1000274 Edit

Molecule Structure SMILES String: N[C@@H](CCCCNOC(=O)[C@@H](N)CCC(=O)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000274
FYIcenter.com

 20 19  0  0  1  0  0  0  0  0999 V2000
    2.4249    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000274-3D
FYIcenter.com

 41 40  0  0  1  0  0  0  0  0999 V2000
    2.9972    4.8312    3.9699 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496    3.4941    3.4807 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0710    3.1597    2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    4.1284    1.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723    3.7835   -0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5719    4.7816   -1.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288    6.1299   -1.1025 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    6.9867   -2.1788 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5356    7.6743   -2.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7274    7.5724   -2.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9768    8.5570   -3.9134 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3809    9.9656   -3.6999 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267    8.0924   -5.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    6.6575   -5.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    6.4676   -5.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9815    6.1351   -4.7699 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    6.7536   -6.9337 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    2.4429    4.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219    1.2620    4.2798 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114    2.9900    5.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459    5.5407    3.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0156    4.8829    3.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537    3.4811    3.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    2.1426    1.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1689    3.1493    2.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    5.1441    1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4605    4.1235    1.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412    2.7759   -0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1696    3.7693   -0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4762    4.7568   -1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9446    4.4900   -2.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0491    6.1839   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    8.5229   -3.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999   10.0111   -3.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277   10.2830   -2.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6228    8.1655   -5.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662    8.7699   -6.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5511    5.9398   -4.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    6.3834   -6.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903    7.0338   -7.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255    3.9549    5.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 23  1  6  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  6  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$

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2021-04-15, 3598👍, 0💬