Molecule FYI-1005451

A

Molecule Summary:

ID: FYI-1005451
Names:
InChIKey: ZFOCOWNCPHENDJ-MUUNZHRXSA-N
SMILES: NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N4CCC(c2ccccc2CNCCc3cccs3)CC4

Received at FYIcenter.com on: 2023-10-29

Molecule ID: FYI-1005451 Edit

Molecule Structure InChIKey: ZFOCOWNCPHENDJ-MUUNZHRXSA-N

Molecule Structure SMILES String: NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N4CCC(c2ccccc2CNCCc3cccs3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005451
FYIcenter.com

 38 41  0  0  0  0  0  0  0  0999 V2000
    4.7698   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5573   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3449   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3449   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5573    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9822    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9822    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1946    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4071    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2652    3.3771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
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 18 20  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 34 38  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005451-3D
FYIcenter.com

 75 78  0  0  1  0  0  0  0  0999 V2000
    4.0318   -2.6858    4.6819 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3907   -4.6273    1.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0504   -5.2975    1.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0479   -5.8797    2.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0743   -4.8738    3.0403 C   0  0  3  0  0  0  0  0  0  0  0  0
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 38 75  1  0  0  0  0
M  END
$$$$

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2023-11-06, 667👍, 0💬