Molecule FYI-1001272

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A

Molecule Summary:

ID: FYI-1001272
SMILES: O=C(O)C(NC(=O)C(N)CCCN)CO

Received at FYIcenter.com on: 2022-04-22

Molecule ID: FYI-1001272 Edit

Molecule Structure SMILES String: O=C(O)C(NC(=O)C(N)CCCN)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1001272
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001272-3D
FYIcenter.com

 32 31  0  0  1  0  0  0  0  0999 V2000
    1.3827   -0.4662    4.8417 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607   -1.3624    4.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441   -2.5409    4.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579   -1.2694    2.5387 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0896   -2.6294    1.9886 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614   -2.8671    0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9378   -2.0411   -0.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721   -4.2749    0.1401 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7503   -5.2844    0.8879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5224   -4.5913    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4073   -3.6445   -0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8997   -3.9467   -0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -5.2896   -0.8471 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0304   -0.3848    2.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2900   -0.2778    0.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083   -3.0753    3.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370   -0.8222    2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3534   -3.1938    2.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609   -4.3352   -0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238   -5.2567    1.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -5.0802    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -4.5572    1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6894   -5.6218   -0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265   -3.7011   -1.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376   -2.6099   -0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4819   -3.2163   -0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903   -3.8468    0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907   -5.3830   -1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2348   -5.4359   -0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950    0.6267    2.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8509   -0.7935    2.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382   -0.1125    0.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  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
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

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2022-05-01, 1341👍, 0💬