Molecule FYI-1005846

A

Molecule Summary:

ID: FYI-1005846
Names:
InChIKey: AWBXQISPGBFRQY-UHFFFAOYSA-N
SMILES: NC(C(=O)NC1CCCCC1)C(O)c2ccc(N(=O)=O)cc2

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005846 Edit

Molecule Structure InChIKey: AWBXQISPGBFRQY-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(C(=O)NC1CCCCC1)C(O)c2ccc(N(=O)=O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005846
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   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  2  0  0  0  0
  5  3  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  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 22 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005846-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
   -2.1045   -1.5196   -1.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155   -3.8301    0.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002    1.6474   -1.0873 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1088    2.0663    1.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010   -0.0550    0.0704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3646   -3.3867    0.5264 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8902    1.4120   -0.0162 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.8621    1.0502   -0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8247    1.8673    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582    1.9348   -1.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    2.6884    1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0347    2.7557   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0120    3.5686    0.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9654   -1.2623   -0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4141   -2.2729    0.4814 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0100   -2.7782    0.0915 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0223   -1.6685    0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7126   -1.3881   -1.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820   -0.9278    1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628   -0.3674   -1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2322    0.0929    1.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225    0.3732    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4353    0.6233   -1.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3933    2.5502   -0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8216    3.3178    1.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4567    2.0886    0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4780    4.3401    0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4678    4.0894    1.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922    0.0872    1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901   -1.8432    1.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622   -3.2201   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2766   -3.0439    0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0736   -4.0577    1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -1.9555   -2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606   -1.1381    2.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627   -4.5947    0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809   -0.1768   -2.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    0.6481    2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 16  1  0  0  0  0
  2 41  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
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  5 34  1  0  0  0  0
  6 15  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
$$$$

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