Molecule FYI-1003727

A

Molecule Summary:

ID: FYI-1003727
Names:
InChIKey: WJPYSLNVRNBWAJ-BSRJHKFKSA-N
SMILES: N[C@@H]5CC[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C4(O)c2ccccc2c3ccccc34)CC5

Received at FYIcenter.com on: 2023-07-23

Molecule ID: FYI-1003727 Edit

Molecule Structure InChIKey: WJPYSLNVRNBWAJ-BSRJHKFKSA-N

Molecule Structure SMILES String: N[C@@H]5CC[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C4(O)c2ccccc2c3ccccc34)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003727
FYIcenter.com

 32 36  0  0  1  0  0  0  0  0999 V2000
   11.5746    5.0638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3622    5.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3622    7.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1497    7.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9373    7.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7249    7.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125    7.1638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    7.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    9.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876    7.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087    7.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718    6.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718    5.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    5.7715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9816    4.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3131    5.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428    3.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9273    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0273    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7273    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0273    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9373    5.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1497    5.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  1  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  8  1  1  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 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
 26 17  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31  5  1  0  0  0  0
 32 31  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003727-3D
FYIcenter.com

 63 67  0  0  1  0  0  0  0  0999 V2000
    5.9135   -3.9468    0.4250 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6839   -3.1624    0.2770 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9699   -1.6909    0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2371   -1.4555    2.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684   -1.9092    2.9695 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8237   -0.9893    2.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1673    0.3980    3.2070 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    1.2116    4.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    0.8382    4.6127 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    2.6569    4.2739 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8248    2.9432    5.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    4.3788    5.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8128    5.0474    4.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195    3.9770    3.6907 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163    4.4077    2.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5488    5.6059    2.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2842    3.3256    1.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001    2.2182    1.8607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5600    2.8088    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8078    2.5359    1.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7279    1.8247    0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4258    1.4476   -0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169    1.8216   -1.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2965    2.5178   -0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9764    3.0040   -1.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600    2.8630   -2.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0692    3.2874   -2.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6492    3.8884   -1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840    4.0684    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3934    3.6047    0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611   -3.3908    2.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -3.7044    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342   -3.5727   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7487   -4.9036    0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671   -3.2431   -0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1135   -1.0872    0.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8309   -1.3458    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4703   -0.4019    2.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1389   -2.0040    2.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4144   -1.8549    4.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -1.3434    3.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3968   -0.9889    1.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5666    0.8938    2.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278    2.5857    4.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664    2.2499    6.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7572    2.8747    6.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    4.4222    6.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427    4.8514    6.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5701    5.7591    4.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8657    5.5793    4.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974    2.6039    2.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0578    2.8103    2.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6753    1.5227    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1352    0.8457   -1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    1.5379   -2.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6943    2.3801   -3.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    3.1189   -3.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6984    4.1739   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3926    4.4853    0.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787   -3.7188    3.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5988   -3.9960    3.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -3.2820    0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794   -4.7916    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2  1  1  0  0  0  0
  2 35  1  6  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 40  1  1  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 44  1  6  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  2  0  0  0  0
 22 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 27 57  1  0  0  0  0
 28 29  2  0  0  0  0
 28 58  1  0  0  0  0
 29 30  1  0  0  0  0
 29 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1652👍, 0💬