Molecule FYI-1014984

A

Molecule Summary:

ID: FYI-1014984
Names:
InChIKey: JYPCXBJRLBHWME-IUCAKERBSA-N
SMILES: N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

Received at FYIcenter.com on: 2025-06-12

Molecule ID: FYI-1014984 Edit

Molecule Structure InChIKey: JYPCXBJRLBHWME-IUCAKERBSA-N

Molecule Structure SMILES String: N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014984
FYIcenter.com

 23 23  0  0  1  0  0  0  0  0999 V2000
    9.2686    7.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3090    6.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6865    4.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0584    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  8  6  1  0  0  0  0
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  6 11  1  1  0  0  0
 12 11  2  0  0  0  0
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 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014984-3D
FYIcenter.com

 47 47  0     1  0  0  0  0  0999 V2000
    1.9282    0.7859   -1.5206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510   -2.2706    0.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296    3.4283    1.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092    4.2012   -0.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -0.8232    0.2259 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4696    1.5205    0.1383 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6403   -4.3725   -0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -0.9072    0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790   -2.1996   -0.9157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9390   -2.2957    1.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    0.3342    0.7639 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5575    1.3039    1.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925    0.9735    0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741   -0.5328    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.8880   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -2.0632    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4689   -3.1904   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 43  1  0  0  0  0
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  5 11  1  0  0  0  0
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 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
$$$$

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2025-06-18, 1072👍, 0💬