Molecule FYI-1010044

A

Molecule Summary:

ID: FYI-1010044
Names:
InChIKey: GXFBXYRIFPTSTH-ZRNGVVKVSA-N
SMILES: CCC4CC3CC2C1C/C=C\\C(=O)NCCC(O)C5NC(=O)C(=C(O)/C=C/C1CC(=O)C2C3C4C)C5=O

Received at FYIcenter.com on: 2024-05-26

Molecule ID: FYI-1010044 Edit

Molecule Structure InChIKey: GXFBXYRIFPTSTH-ZRNGVVKVSA-N

Molecule Structure SMILES String: CCC4CC3CC2C1C/C=C\C(=O)NCCC(O)C5NC(=O)C(=C(O)/C=C/C1CC(=O)C2C3C4C)C5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010044
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
   13.3253    8.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1188    9.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    8.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6399    9.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7077    8.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5477    7.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0129    6.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0725    5.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7813    8.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6544    7.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817    8.3126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2548    7.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003    6.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734    5.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4327    3.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    3.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8845    4.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1099    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2368    2.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0911    3.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182    4.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4907    3.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6177    4.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8904    4.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4721    6.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042    7.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7669    7.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8020    6.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2533    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4327    1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    0.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139    2.6890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8543    0.0000 O   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  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  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  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 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  3  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25  8  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 29  7  1  0  0  0  0
 30 29  1  0  0  0  0
 30  5  1  0  0  0  0
 31 30  1  0  0  0  0
 31  3  1  0  0  0  0
 32 31  1  0  0  0  0
 33 22  1  0  0  0  0
 34 21  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 36 18  1  0  0  0  0
 37 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010044-3D
FYIcenter.com

 75 79  0  0  1  0  0  0  0  0999 V2000
   -1.4891   -0.5169    7.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6874    0.3285    6.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -0.3593    5.1560 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0861   -1.7610    4.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8795   -1.7421    3.4402 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5639   -3.0470    3.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8305   -2.5037    2.4571 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0021   -3.4233    2.2114 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7211   -3.7204    3.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2872   -2.7789    4.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8071   -1.5495    5.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4531   -0.2844    4.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6900   -0.3401    4.5509 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250    0.9563    4.3896 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268    1.6872    4.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7677    2.8225    3.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5328    3.2126    2.1321 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6949    4.6341    1.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    2.5387    0.7236 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3447    3.0366   -0.1926 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8613    2.0845   -1.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935    2.2177   -1.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761    0.8008   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.4445   -1.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6635   -0.7440   -2.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501   -1.6716   -0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987   -1.8285   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8821   -2.7480    1.0622 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6720   -1.7481    1.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -0.7553    2.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064    0.3928    1.9617 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290   -1.3066    3.2467 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0199   -0.7145    3.7932 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7411   -0.3734    5.2896 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3040   -1.3416    6.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662    1.1479    0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.5235    1.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2297    0.1295    7.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -0.9573    7.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433   -1.3017    6.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211    1.1018    6.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380    0.8824    5.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0098    0.3081    4.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180   -1.9247    4.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721   -2.5445    5.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -1.3604    2.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714   -3.6011    2.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -3.6996    3.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   -2.1334    1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349   -4.3803    1.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4270   -4.5451    3.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8733   -4.1848    4.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -3.3565    5.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9804   -1.4539    6.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125    1.5663    4.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3409    2.1451    5.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354    1.0015    3.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6222    2.6175    2.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    3.7233    3.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6059    3.1277    2.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5624    4.7604    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441    2.6348    0.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9815    3.9814   -0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -0.0211   -2.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131   -2.4603   -0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103   -1.0475   -0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5515   -3.4974    0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4205   -1.2315    1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2726   -2.2001    2.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7430   -1.5693    4.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    0.2420    3.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105    0.6301    5.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469   -2.3807    5.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169   -1.3165    7.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271   -1.0578    6.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  2 42  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 46  1  0  0  0  0
  6  7  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 49  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 51  1  0  0  0  0
  9 52  1  0  0  0  0
 10 11  2  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 62  1  0  0  0  0
 20 21  1  0  0  0  0
 20 63  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  3  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 64  1  0  0  0  0
 26 27  2  0  0  0  0
 26 65  1  0  0  0  0
 27 28  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 67  1  0  0  0  0
 29 30  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 70  1  0  0  0  0
 33 34  1  0  0  0  0
 33 71  1  0  0  0  0
 34 35  1  0  0  0  0
 34 72  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 35 75  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1718👍, 0💬