Molecule FYI-1014857

A

Molecule Summary:

ID: FYI-1014857
Names:
InChIKey: CIKGSDAIPKAKCA-WGSIWEPMSA-N
SMILES: CN(C)[C@@H]3C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(O)C2C(=O)c1c(O)cccc1[C@H](CSCCCCl)C2[C@H](O)C34

Received at FYIcenter.com on: 2025-05-30

Molecule ID: FYI-1014857 Edit

Molecule Structure InChIKey: CIKGSDAIPKAKCA-WGSIWEPMSA-N

Molecule Structure SMILES String: CN(C)[C@@H]3C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(O)C2C(=O)c1c(O)cccc1[C@H](CSCCCCl)C2[C@H](O)C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014857
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    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  2  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 13 14  1  1  0  0  0
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 35 36  1  1  0  0  0
 37 35  1  0  0  0  0
 37  4  1  0  0  0  0
 37 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014857-3D
FYIcenter.com

 68 71  0     1  0  0  0  0  0999 V2000
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M  END
$$$$

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