Molecule FYI-1003227

A

Molecule Summary:

ID: FYI-1003227
Names:
InChIKey: KIQUCMUULDXTAZ-HJOGWXRNSA-N
SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O

Received at FYIcenter.com on: 2023-05-25

Molecule ID: FYI-1003227 Edit

Molecule Structure InChIKey: KIQUCMUULDXTAZ-HJOGWXRNSA-N

Molecule Structure SMILES String: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003227
FYIcenter.com

 36 38  0  0  1  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  1  0  0  0
 15 28  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
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 27 26  1  6  0  0  0
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 36 35  2  0  0  0  0
 36 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003227-3D
FYIcenter.com

 65 67  0     1  0  0  0  0  0999 V2000
    0.5702   -0.5751   -1.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.0981    1.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4002   -0.2767   -0.3755 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.7789   -3.6740    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4156   -2.5120    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2089    3.1145   -0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -4.4624   -1.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-06-12, 2011👍, 0💬