Molecule FYI-1001110

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Molecule Summary:

ID: FYI-1001110
SMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC

Received at FYIcenter.com on: 2022-01-07

Molecule ID: FYI-1001110 Edit

Molecule Structure SMILES String: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001110
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   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
    8.4870    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001110-3D
FYIcenter.com

 50 50  0  0  1  0  0  0  0  0999 V2000
    7.7210   -0.8022    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6463    0.1163    1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4325    0.3293    0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243   -1.0130   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5835   -0.9055   -1.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4631    1.2592    0.7358 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201    2.6044    0.9795 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2637    3.3068   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1777    4.6239   -0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326    5.5671    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1619    4.9693    1.8898 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9921    3.4135    1.9533 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5580    3.0765    2.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203    3.2128    3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5164    3.4756    4.2922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4255    3.0490    3.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9869    5.4904    2.9965 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6294    5.2922   -1.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5231    6.4974   -1.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    4.3965   -2.6546 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460    4.8873   -4.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    4.6348   -4.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6196   -0.7568    1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0028   -0.4961   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3948   -1.8446    0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1389    1.0686    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100   -0.2583    2.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    0.7077   -0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3266   -1.4189    0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4371   -1.7482   -0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0774    0.0577   -1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505   -1.6934   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9654   -1.0475   -2.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8628    2.5406    1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7015    2.7023   -1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750    6.0799    0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3780    6.3553    0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    5.4284    2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590    3.0931    2.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025    3.1523    1.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    2.7043    2.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366    4.0113    3.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1482    2.3182    4.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839    5.0098    3.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5120    5.2509    3.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7915    4.3290   -4.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3166    5.9480   -4.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    3.5607   -4.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5591    5.0117   -5.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8930    5.1098   -3.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END
$$$$

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2022-04-13, 396👍, 0💬