Molecule FYI-1000357

Home > Molecule

A

Molecule Summary:

ID: FYI-1000357
SMILES: C1=CC=C(C2=CC=CC=C12)[C@H](N1CC[C@H](CC1)C(=O)NCCC1=CC=C(C=C1)Cl)C

Received at FYIcenter.com on: 2021-04-15

Molecule ID: FYI-1000357 Edit

Molecule Structure SMILES String: C1=CC=C(C2=CC=CC=C12)[C@H](N1CC[C@H](CC1)C(=O)NCCC1=CC=C(C=C1)Cl)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000357
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    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
    3.6373    2.1000    0.0000 C   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 11 12  1  1  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 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  6  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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 30 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000357-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    1.1278    5.2368   -3.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162    3.8562   -3.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    3.1679   -2.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3978    3.8328   -1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6853    5.2386   -1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623    6.0128   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    7.3763   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2452    8.0216   -1.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644    7.3048   -2.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    5.9279   -2.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560    3.0635    0.2318 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1779    1.5838    0.0863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    0.9754   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604    0.8196    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.3455    2.0560 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8081    0.6781    2.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329    0.8037    1.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8878   -1.1432    2.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348   -1.9810    1.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1754   -1.4615    2.5287 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5547   -2.8501    2.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9707   -3.0932    3.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968   -4.5831    3.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8777   -5.3359    4.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057   -6.7286    4.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2544   -7.3691    2.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5871   -6.6318    1.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5629   -5.2375    1.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2462   -9.0888    2.8958 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0928    3.6765    1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9677    5.7598   -4.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7941    3.3110   -4.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280    2.0846   -2.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3622    5.5488    0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8551    7.9273    0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755    9.0807   -1.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    7.8265   -3.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901    3.2703    0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699   -0.0227   -0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5124    1.5020   -1.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140    0.1294    0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6977    1.7626    0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2777    0.8078    2.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190   -0.0814    3.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8391    1.6069    2.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -0.2051    0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7015    1.2077    1.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8891   -0.7442    2.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8252   -3.3717    3.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -3.2417    1.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7090   -2.5954    2.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1054   -2.6757    4.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5587   -4.8428    5.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6265   -7.3056    5.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8369   -7.1315    0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7804   -4.6689    0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8429    3.6626    0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737    4.7237    1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701    3.1779    1.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  2  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  2  0  0  0  0
  9 37  1  0  0  0  0
 11 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11  4  1  0  0  0  0
 11 38  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 43  1  1  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  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
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-05-16, 696👍, 0💬