Molecule FYI-1010248

A

Molecule Summary:

ID: FYI-1010248
Names:
InChIKey: JVVUMRUWQBAVNC-ZQRQZVKFSA-N
SMILES: CCCCCCC(=O)CCCCCCCCCC[C@H](O)C(N)(CO)C(=O)O

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010248 Edit

Molecule Structure InChIKey: JVVUMRUWQBAVNC-ZQRQZVKFSA-N

Molecule Structure SMILES String: CCCCCCC(=O)CCCCCCCCCC[C@H](O)C(N)(CO)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010248
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  7  1  0  0  0  0
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 11 10  1  0  0  0  0
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 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 19 27  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010248-3D
FYIcenter.com

 68 67  0  0  1  0  0  0  0  0999 V2000
   16.1425  -20.0571   11.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5238  -19.4102    8.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3663  -19.8227    7.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9218  -18.7327    6.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7902  -19.1030    4.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3460  -17.9918    4.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2758  -17.2815    4.4301 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7167  -17.8314    2.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3757  -16.6876    1.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7596  -16.4929    0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 68  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1232👍, 0💬