Molecule FYI-1001002

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Molecule Summary:

ID: FYI-1001002
SMILES: C#CC#CC=[NH+]C1=CC=CC=C1CC(O)NC(C(N)O)C(C)(C)C

Received at FYIcenter.com on: 2021-09-24

Molecule ID: FYI-1001002 Edit

Molecule Structure SMILES String: C#CC#CC=[NH+]C1=CC=CC=C1CC(O)NC(C(N)O)C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001002
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  3  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001002-3D
FYIcenter.com

 50 50  0  0  1  0  0  0  0  0999 V2000
    9.0800   -2.6870   -6.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1788   -2.2148   -5.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3630   -1.6376   -4.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6008   -1.1906   -3.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0142   -0.6044   -1.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6128   -1.2026   -0.7402 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.9026   -0.7845    0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6341    0.4001    0.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8536    0.8777    2.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3378    0.1886    3.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6480   -1.0051    2.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4436   -1.5433    1.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8553   -2.9543    1.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4535   -3.0840    1.0264 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6717   -2.8542   -0.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8441   -4.4057    1.0774 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4836   -4.9789    2.4305 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6191   -3.9908    3.3253 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2511   -4.3957    4.6597 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197   -2.8491    3.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8935   -6.4511    2.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391   -7.3485    1.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5886   -7.1734    3.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5951   -6.4591    1.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0210   -3.1115   -7.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6545    0.2817   -1.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574   -1.9969   -0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0602    1.0067    0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4196    1.7932    2.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4943    0.5734    4.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2842   -1.5292    3.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8427   -3.3534    2.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709   -3.5820    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7746   -2.2962    1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1295   -3.5612   -0.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4770   -5.0635    0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4367   -5.1070    2.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252   -3.6746    2.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8955   -5.0816    5.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290   -4.8336    4.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6958   -2.9967    4.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8711   -7.3927    2.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1808   -6.9984    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706   -8.3746    1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4651   -7.1901    4.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882   -8.2142    3.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7466   -6.7318    4.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7801   -6.2234    0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8620   -5.7469    1.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1243   -7.4509    1.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  3  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-02, 1576👍, 0💬