Molecule FYI-1004087

A

Molecule Summary:

ID: FYI-1004087
Names:
InChIKey: BBYHCISWDGRNML-ZTKZIYFRSA-N
SMILES: CCC1=C(C)C(=O)NC1(O)Cc5[nH]c(Cc4[nH]c3/C(=C\\2NC(C(=O)O)C(C)C2CCC(=O)O)CC(=O)c3c4C)c(CC)c5C

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004087 Edit

Molecule Structure InChIKey: BBYHCISWDGRNML-ZTKZIYFRSA-N

Molecule Structure SMILES String: CCC1=C(C)C(=O)NC1(O)Cc5[nH]c(Cc4[nH]c3/C(=C\2NC(C(=O)O)C(C)C2CCC(=O)O)CC(=O)c3c4C)c(CC)c5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004087
FYIcenter.com

 44 48  0  0  0  0  0  0  0  0999 V2000
   12.9744    8.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5821    9.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7592    7.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3592    7.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5363    9.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1440    8.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2072    9.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4982   11.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9283    9.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0746    8.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7956    7.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8588    8.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    9.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894   10.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046    6.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    5.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336    5.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6565    4.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0489    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6183    5.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8718    3.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    3.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3108    2.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    4.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    1.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    5.5096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4440    7.7268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9266    6.6214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0592    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0592    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0975    2.9360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4180    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3776    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6686    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7874    2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3568    0.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4874    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5506    4.2679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8797    3.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1919    6.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5233    6.1888    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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  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
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 28 24  1  0  0  0  0
 28 15  1  0  0  0  0
 29 10  1  0  0  0  0
 29  6  1  0  0  0  0
 30  4  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 35  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 41 33  1  0  0  0  0
 42 40  2  0  0  0  0
 43 31  2  0  0  0  0
 43  3  1  0  0  0  0
 44 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004087-3D
FYIcenter.com

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