Molecule FYI-1007435

A

Molecule Summary:

ID: FYI-1007435
Names:
InChIKey: PZLCIEMGBSCLFR-UQWPSXPBSA-N
SMILES: CC(C)(C)NC(=O)[C@@H]2C[C@]1(C)CCCC[C@]1(C)CN2C[C@@H](O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c4ccc3cc(N)ccc3n4)Oc5cccc(N)c5.CC

Received at FYIcenter.com on: 2024-02-22

Molecule ID: FYI-1007435 Edit

Molecule Structure InChIKey: PZLCIEMGBSCLFR-UQWPSXPBSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)[C@@H]2C[C@]1(C)CCCC[C@]1(C)CN2C[C@@H](O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c4ccc3cc(N)ccc3n4)Oc5cccc(N)c5.CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007435
FYIcenter.com

 55 58  0  0  0  0  0  0  0  0999 V2000
    6.1810    9.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810   10.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449   11.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087   10.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087    9.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    8.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4173    8.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6535    9.2784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6535   10.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4173   11.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8897    7.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1259    6.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3621    7.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1259    4.9961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8897    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6181    6.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5984    4.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8346    4.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0707    4.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0707    6.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8346    7.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1534   12.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231    7.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7358   11.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0406   11.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6535    2.1412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4173    2.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810    2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810    0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.8549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087    2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087    0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4173    4.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    2.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6597   13.0346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8590   13.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0516   14.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6731   12.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0813   14.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2162    7.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2289    2.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2289    2.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 17 23  2  0  0  0  0
 12 24  1  6  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 15 29  2  0  0  0  0
 15 25  1  0  0  0  0
  2 30  1  6  0  0  0
  1 31  1  6  0  0  0
  9 32  1  1  0  0  0
 32 33  2  0  0  0  0
 18 34  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 34 35  1  0  0  0  0
 38 39  1  0  0  0  0
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 37 41  2  0  0  0  0
 36 38  2  0  0  0  0
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 40 46  2  0  0  0  0
 39 43  2  0  0  0  0
 32 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
 28 52  1  0  0  0  0
 45 53  1  0  0  0  0
 54 55  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-02-28, 609👍, 0💬