Molecule FYI-1013490

A

Molecule Summary:

ID: FYI-1013490
Names:
InChIKey: KVDGSAKPTQMSHH-ULQDDVLXSA-N
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

Received at FYIcenter.com on: 2024-12-17

Molecule ID: FYI-1013490 Edit

Molecule Structure InChIKey: KVDGSAKPTQMSHH-ULQDDVLXSA-N

Molecule Structure SMILES String: CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013490
FYIcenter.com

 34 34  0  0  1  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 O   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
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
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   16.9742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 26  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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  9  8  2  0  0  0  0
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 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  6  0  0  0
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 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 34 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013490-3D
FYIcenter.com

 66 66  0  0  1  0  0  0  0  0999 V2000
    5.6991   -2.7703    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4438   -2.9227   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415   -3.8440    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670   -1.5717   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515   -0.5758   -1.5010 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8927    0.6754   -1.7150 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571   -1.1442   -2.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359   -1.5276   -3.7088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4062   -1.0981   -3.1391 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1664    0.6233   -8.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188   -0.1504   -8.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7446   -1.9904   -5.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2026   -3.4175   -5.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
$$$$

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