Molecule FYI-1010723

A

Molecule Summary:

ID: FYI-1010723
Names:
InChIKey: GFVIEZBZIUKYOG-UHFFFAOYSA-N
SMILES: [CH3:2]C(=O)[NH:1]C(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C

Received at FYIcenter.com on: 2024-07-05

Molecule ID: FYI-1010723 Edit

Molecule Structure InChIKey: GFVIEZBZIUKYOG-UHFFFAOYSA-N

Molecule Structure SMILES String: [CH3:2]C(=O)[NH:1]C(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010723
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.1306    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    0.5694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    2.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4817    3.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906    4.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2311    5.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9399    7.0783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9804    8.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3118    7.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6893    9.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6261   10.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9261   11.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1979    7.8539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8591    5.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    4.2679    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
  6  2  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
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 16 15  1  0  0  0  0
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 21 20  1  0  0  0  0
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 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 10  1  0  0  0  0
 33 32  2  0  0  0  0
 33  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010723-3D
FYIcenter.com

 65 67  0     1  0  0  0  0  0999 V2000
    6.3552   -0.4793    0.0824 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9478   -2.2641    2.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    0.1440   -1.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -2.7106    1.2616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3885    3.4239    2.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -0.6021   -0.1452 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7773   -3.0833   -0.8971 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9319    2.0628    0.2856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849   -1.9876   -0.5919 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -2.6885    2.7421   -1.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 65  1  0  0  0  0
M  END
$$$$

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2024-07-25, 211👍, 0💬