Molecule FYI-1007457

A

Molecule Summary:

ID: FYI-1007457
Names:
InChIKey: BJSXIKBHALJNME-YTFOTSKYSA-N
SMILES: [NH3+][C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-]

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007457 Edit

Molecule Structure InChIKey: BJSXIKBHALJNME-YTFOTSKYSA-N

Molecule Structure SMILES String: [NH3+][C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007457
FYIcenter.com

 46 45  0  0  1  0  0  0  0  0999 V2000
   19.3990    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5493    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 23  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
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 22 21  1  1  0  0  0
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 41 39  1  0  0  0  0
 42 41  1  6  0  0  0
 43 46  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007457-3D
FYIcenter.com

 83 82  0  0  1  0  0  0  0  0999 V2000
    1.0794   -0.1351    0.3900 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5905   -0.0212    0.3444 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9494    0.6720   -0.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4488    0.8603   -1.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7680   -0.7465   -2.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0515    0.7985    1.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645    1.6020    2.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216    0.5782    2.0268 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061    1.2905    3.1837 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.9494    1.3225    8.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-03-07, 176👍, 0💬