Molecule FYI-1013599

A

Molecule Summary:

ID: FYI-1013599
Names:
InChIKey: JEVGMOQOJSHBAO-FQEVSTJZSA-N
SMILES: O=C(O)Cn2nc(c1ccncc1)cc2NC(=O)[C@H](Cc3ccccc3)NCc4cncs4

Received at FYIcenter.com on: 2025-01-16

Molecule ID: FYI-1013599 Edit

Molecule Structure InChIKey: JEVGMOQOJSHBAO-FQEVSTJZSA-N

Molecule Structure SMILES String: O=C(O)Cn2nc(c1ccncc1)cc2NC(=O)[C@H](Cc3ccccc3)NCc4cncs4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013599
FYIcenter.com

 33 36  0  0  1  0  0  0  0  0999 V2000
    7.8470    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8873    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2189    0.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5963    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6368    3.2430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061    2.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7061    4.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0985    4.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9213    3.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.2430    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
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 33 32  1  0  0  0  0
 33 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013599-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
   -3.8871    4.1317    0.5324 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8993    0.3560   -1.8720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9415   -2.5840    3.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -2.6808    1.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5278    0.5050   -0.6139 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7441    0.0547    1.5766 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0083    0.4950    1.4582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4173    3.7664    0.1484 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-02-16, 1108👍, 0💬