Molecule FYI-1014988

A

Molecule Summary:

ID: FYI-1014988
Names:
InChIKey: GAAHQHNCMIAYEX-UWVGGRQHSA-N
SMILES: NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

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

Molecule ID: FYI-1014988 Edit

Molecule Structure InChIKey: GAAHQHNCMIAYEX-UWVGGRQHSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014988
FYIcenter.com

 21 21  0  0  1  0  0  0  0  0999 V2000
   12.8921    5.4242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    4.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 21  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  1  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014988-3D
FYIcenter.com

 45 45  0     1  0  0  0  0  0999 V2000
    1.1675    1.0354   -1.2653 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5832   -2.3429   -0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167    3.4268   -1.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431    3.5201    0.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872   -0.4136    0.2917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5338    0.8972    0.3185 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416   -3.7244   -1.0265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8963   -3.2336    0.6974 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076    0.3146    0.9455 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3950    1.4834    1.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    1.7475    0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0288    0.3558    0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732    0.7794   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6193    1.3470   -0.5144 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6491   -1.7250   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    0.7969   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6192    2.8617   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5832   -2.7696    0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881   -0.3450    1.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3041   -1.8357   -1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2333   -4.2559   -0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3621   -4.2117   -1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6120   -2.8642    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 15  2  0  0  0  0
  3 20  1  0  0  0  0
  3 43  1  0  0  0  0
  4 20  2  0  0  0  0
  5  9  1  0  0  0  0
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  6 30  1  0  0  0  0
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  7 41  1  0  0  0  0
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  8 21  1  0  0  0  0
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 14 29  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

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2025-06-18, 1086👍, 0💬