Molecule FYI-1014053

A

Molecule Summary:

ID: FYI-1014053
Names:
InChIKey: LWZLLHPZXXUHDA-QHCPKHFHSA-N
SMILES: CN4C(=O)[C@H](NC(=S)SCC(=O)NC(=O)Nc1cc(Cl)ccc1N(=O)=O)N=C(c2ccccc2)c3ccccc34

Received at FYIcenter.com on: 2025-02-24

Molecule ID: FYI-1014053 Edit

Molecule Structure InChIKey: LWZLLHPZXXUHDA-QHCPKHFHSA-N

Molecule Structure SMILES String: CN4C(=O)[C@H](NC(=S)SCC(=O)NC(=O)Nc1cc(Cl)ccc1N(=O)=O)N=C(c2ccccc2)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014053
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
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    0.0000    6.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5327    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 35 37  1  0  0  0  0
 32 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014053-3D
FYIcenter.com

 61 64  0  0  1  0  0  0  0  0999 V2000
    1.1188   -0.1096   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778   -0.0702   -0.0971 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   -1.2876   -0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728   -2.3669   -0.3069 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8242   -1.2210   -0.1932 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3615   -2.5505   -0.4371 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027   -3.0869   -1.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1583   -2.2543   -3.0106 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5489   -4.8287   -1.5436 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1950   -5.1464   -0.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8296   -3.4299   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9829   -2.0983    3.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7734   -0.5663    4.0823 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-03-12, 553👍, 0💬