Molecule FYI-1001123

A
Molecule Summary:
ID: FYI-1001123
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O
Received at FYIcenter.com on: 2022-01-20
Molecule ID: FYI-1001123 Edit
Molecule Structure SMILES String: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H
Download SDF Download SVG Structure in 2D SDF:
Image not available
FYI-1001123
FYIcenter.com

155160  0  0  1  0  0  0  0  0999 V2000
   50.4198    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.2073    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.9949    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.9949    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.7825    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.5700    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.3576    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3576    6.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.1451    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1451    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3576    2.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3576    1.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1451    0.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.5700    0.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.9327    5.2471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.7203    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7203    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5078    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5078    6.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2954    7.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2954    8.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5078    9.4471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.0830    9.4471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.2954    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.0830    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0830    6.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8705    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8705    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0830    2.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0830    1.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2954    0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5078    1.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5078    2.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2954    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6581    5.2471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.4456    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4456    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2332    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2332    6.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4456    7.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6581    6.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4456    8.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0208    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8083    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8083    6.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5959    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3834    5.2471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1710    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1710    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9586    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9586    6.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1710    7.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3834    6.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1710    8.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7461    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5337    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5337    6.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3213    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1088    5.2471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8964    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8964    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6840    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4716    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2592    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2592    6.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8343    5.2471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6219    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6219    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4094    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1970    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9845    5.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9845    6.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7721    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6257    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2563    2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5563    4.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931    5.1165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2020    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424    7.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    6.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8301    5.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1213    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0809    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    8.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199    9.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9514    8.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288   10.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499   11.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962   12.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5656   12.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   11.6346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6579   11.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274   10.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809   12.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9114   13.8998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8732   12.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6960   13.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0884   13.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9113   14.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3419   15.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9495   16.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1266   14.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.7825    6.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.5700    7.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.9949    7.3471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   49.2738    6.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.2106    7.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.5106    9.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.1412    8.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.1008    9.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.3918   11.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.7693    9.2436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.7290   10.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3975    9.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1064    8.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7749    7.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4839    6.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.7345    8.8825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.0200   11.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9796   12.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.3515   11.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.6426   13.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.6022   14.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8932   15.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8528   16.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5213   16.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.1439   17.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.9741   13.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.0144   12.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.2651   15.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   49.5966   15.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.6370   14.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.9684   15.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.0088   14.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.3403   14.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.6314   15.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.9629   16.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.5910   16.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.2596   16.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.8877   16.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.8473   17.8926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.2192   17.3885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   51.5102   18.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.8417   19.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.1328   20.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.0924   21.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.4643   20.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.4698   19.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.1383   19.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.7609   21.0641    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
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  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
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
  9 15  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 18 24  1  1  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
 27 35  1  6  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 40  2  0  0  0  0
 38 43  1  1  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 48  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 52  2  0  0  0  0
 50 55  1  1  0  0  0
 56 55  1  0  0  0  0
 57 56  2  0  0  0  0
 58 56  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  2  0  0  0  0
 62 60  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  1  0  0  0  0
 65 64  2  0  0  0  0
 66 64  1  0  0  0  0
 67 66  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  2  0  0  0  0
 70 68  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  1  0  0  0  0
 73 72  2  0  0  0  0
 74 72  1  6  0  0  0
 75 74  1  0  0  0  0
 76 75  1  0  0  0  0
 77 76  1  0  0  0  0
 78 77  1  0  0  0  0
 78 74  1  0  0  0  0
 79 78  1  0  0  0  0
 80 79  2  0  0  0  0
 81 79  1  0  0  0  0
 82 81  1  0  0  0  0
 83 82  1  0  0  0  0
 84 83  1  0  0  0  0
 85 84  1  0  0  0  0
 86 85  1  0  0  0  0
 87 86  1  0  0  0  0
 88 86  2  0  0  0  0
 81 89  1  6  0  0  0
 90 89  1  0  0  0  0
 91 90  2  0  0  0  0
 92 90  1  6  0  0  0
 93 92  1  0  0  0  0
 94 93  1  0  0  0  0
 95 94  1  0  0  0  0
 96 95  1  0  0  0  0
 96 92  1  0  0  0  0
 97 96  1  0  0  0  0
 98 97  2  0  0  0  0
 99 97  1  0  0  0  0
 99100  1  6  0  0  0
101 99  1  0  0  0  0
102101  1  0  0  0  0
103102  2  0  0  0  0
104103  1  0  0  0  0
105104  2  0  0  0  0
106105  1  0  0  0  0
107106  2  0  0  0  0
107102  1  0  0  0  0
108  5  1  0  0  0  0
109108  2  0  0  0  0
110108  1  0  0  0  0
111110  1  0  0  0  0
112111  1  0  0  0  0
113112  1  0  0  0  0
114113  1  0  0  0  0
114110  1  0  0  0  0
114115  1  6  0  0  0
116115  2  0  0  0  0
117115  1  0  0  0  0
118117  1  1  0  0  0
119118  1  0  0  0  0
120119  1  0  0  0  0
121120  1  0  0  0  0
122121  1  0  0  0  0
123121  2  0  0  0  0
124118  1  0  0  0  0
125124  2  0  0  0  0
126124  1  0  0  0  0
127126  1  1  0  0  0
128127  1  0  0  0  0
129128  1  0  0  0  0
130129  1  0  0  0  0
131130  1  0  0  0  0
132130  2  0  0  0  0
133127  1  0  0  0  0
134133  2  0  0  0  0
135133  1  0  0  0  0
136135  1  6  0  0  0
137136  1  0  0  0  0
138137  1  0  0  0  0
139138  2  0  0  0  0
140139  1  0  0  0  0
141140  2  0  0  0  0
142141  1  0  0  0  0
143141  1  0  0  0  0
144143  2  0  0  0  0
144138  1  0  0  0  0
145136  1  0  0  0  0
146145  2  0  0  0  0
147145  1  0  0  0  0
148147  1  6  0  0  0
149148  1  0  0  0  0
150149  1  0  0  0  0
151150  1  0  0  0  0
152150  1  0  0  0  0
153148  1  0  0  0  0
154153  1  0  0  0  0
155153  2  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2022-04-13, 1264👍, 0💬