Molecule FYI-1014936

A

Molecule Summary:

ID: FYI-1014936
Names:
InChIKey: DSFYPIUSAMSERP-IHRRRGAJSA-N
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Received at FYIcenter.com on: 2025-06-10

Molecule ID: FYI-1014936 Edit

Molecule Structure InChIKey: DSFYPIUSAMSERP-IHRRRGAJSA-N

Molecule Structure SMILES String: CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014936
FYIcenter.com

 28 27  0  0  1  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 21  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
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  6  0  0  0
 12 21  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
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 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014936-3D
FYIcenter.com

 64 63  0     1  0  0  0  0  0999 V2000
    2.4003   -1.6183    1.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731    0.7095   -1.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121   -3.3849   -1.9774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1666   -5.0811   -0.8307 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    1.0275    0.3728 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2849   -1.9166   -0.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709    3.7109   -0.6219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8927   -0.7356   -0.2103 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8504   -0.0785    0.1766 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.1274    2.5646   -0.0929 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.2235    1.1129   -1.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    1.7360    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 60  1  0  0  0  0
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 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
M  END
$$$$

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2025-06-21, 971👍, 0💬