Molecule FYI-1015591

A

Molecule Summary:

ID: FYI-1015591
Names:
InChIKey: MYVKWLUAGWRLGV-NXEZZACHSA-N
SMILES: CC(=O)N[C@H](CCC/N=C(N)/N)C(=O)N[C@H](CCC/N=C(N)\\N)C(N)=O

Received at FYIcenter.com on: 2025-09-09

Molecule ID: FYI-1015591 Edit

Molecule Structure InChIKey: MYVKWLUAGWRLGV-NXEZZACHSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015591
FYIcenter.com

 26 25  0  0  1  0  0  0  0  0999 V2000
   12.1244    6.3000    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
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   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 N   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
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
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 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
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 23 21  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015591-3D
FYIcenter.com

 55 54  0  0  1  0  0  0  0  0999 V2000
    8.0164    0.6094   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1329    1.7850   -0.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0556    1.9240   -1.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0993    2.6804   -0.8524 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1438    4.0095   -1.4660 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6213    5.0560   -0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4186    5.1255    0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8815    5.4926    0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5969    5.4671    1.8871 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8507    5.7286    1.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6293    6.0632    0.7871 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    5.6900    2.9657 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3604    4.0766   -2.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4876    4.9155   -3.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7366    3.1460   -3.7520 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615    3.1809   -5.1474 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0289    4.1246   -6.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5303    3.8364   -6.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1450    4.7621   -7.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5707    4.4825   -7.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2513    5.2252   -8.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8476    6.2807   -8.9789 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5746    5.0254   -8.3926 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7315    3.4321   -5.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449    2.6969   -4.4249 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083    4.1146   -6.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2425   -0.0730   -0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    0.9535    0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1783    4.2438   -1.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6226    6.0479   -0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5741    4.8332   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9125    4.3614   -7.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3517    2.4011   -3.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9771    2.9923   -4.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
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  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 30  1  0  0  0  0
  5 13  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 31  1  6  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
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 25 55  1  0  0  0  0
M  END
$$$$

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2025-09-24, 629👍, 0💬