Molecule FYI-1004802

A

Molecule Summary:

ID: FYI-1004802
Names:
InChIKey: SJDDOCKBXFJEJB-MOKWFATOSA-N
SMILES: CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)c3ccc(N)c(Cl)c3)C(C)(C)C

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004802 Edit

Molecule Structure InChIKey: SJDDOCKBXFJEJB-MOKWFATOSA-N

Molecule Structure SMILES String: CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)c3ccc(N)c(Cl)c3)C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004802
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    7.1353    1.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5277    0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505    2.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7429    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6796    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9586    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8123    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8527    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886    4.2679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5395    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  1  0  0  0
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  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9  4  1  0  0  0  0
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 11 10  1  0  0  0  0
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 33 28  1  0  0  0  0
 34 31  1  0  0  0  0
 35 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004802-3D
FYIcenter.com

 68 70  0     1  0  0  0  0  0999 V2000
   -8.3452    0.7760    1.7719 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0869    0.0442   -1.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3700    1.7780   -0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-12, 1930👍, 0💬