Molecule FYI-1000323

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Molecule Summary:

ID: FYI-1000323
SMILES: C[C@@H]1CCC[C@H](N1NC(=O)NCC#C)C

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000323 Edit

Molecule Structure SMILES String: C[C@@H]1CCC[C@H](N1NC(=O)NCC#C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000323
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    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
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  7  2  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  3  0  0  0  0
  6 15  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000323-3D
FYIcenter.com

 34 34  0  0  1  0  0  0  0  0999 V2000
    1.0273    0.0378    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624   -0.0495    0.0241 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1058    0.9932   -0.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    0.6509   -2.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993   -0.7620   -2.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6774   -1.7966   -1.6996 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0355   -1.4211   -0.3083 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847   -2.3822    0.6857 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -2.5799    1.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3242   -1.9917    2.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6782   -3.4852    2.7311 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2773   -3.7677    4.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630   -4.7709    4.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644   -5.6315    5.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2206   -3.1702   -2.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    1.0427    0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6251   -0.6669    0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5459   -0.1814   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9647    0.2276    1.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2004    1.0461   -0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    1.9945   -0.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1808    1.3676   -3.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460    0.7259   -2.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974   -0.7724   -2.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -1.0310   -3.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866   -1.8467   -1.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741   -2.9457    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633   -3.9974    2.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3512   -2.8245    4.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -4.1536    3.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -6.3348    6.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3145   -3.1943   -2.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8969   -3.4164   -3.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394   -3.9579   -1.4411 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  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  1  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 26  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  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 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  3  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1603👍, 0💬