Molecule FYI-1010432

A

Molecule Summary:

ID: FYI-1010432
Names:
InChIKey: RPWUMVNDBWYDLU-PJYQYMPASA-N
SMILES: C#CCCC[C@@H](O)[C@@H](C)[C@@H]2C/C=C(C)\\C(=O)O[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N[C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](C)C(=O)O2

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010432 Edit

Molecule Structure InChIKey: RPWUMVNDBWYDLU-PJYQYMPASA-N

Molecule Structure SMILES String: C#CCCC[C@@H](O)[C@@H](C)[C@@H]2C/C=C(C)\C(=O)O[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N[C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](C)C(=O)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010432
FYIcenter.com

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   12.1156    8.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5386    8.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1156   11.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4809   10.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694   11.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694   12.5908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577   10.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6924   12.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1156   12.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3271   13.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3271   14.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5386   15.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7502   14.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7502   13.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5386   12.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5386   11.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    9.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1156    4.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3271    4.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3271    6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5386    4.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4809    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    4.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    4.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    2.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    9.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    8.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  3  4  1  6  0  0  0
  5  3  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
  9  8  1  0  0  0  0
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 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
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 53 59  1  6  0  0  0
  9 60  1  1  0  0  0
 61  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010432-3D
FYIcenter.com

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