Molecule FYI-1016617

A

Molecule Summary:

ID: FYI-1016617
Names:
InChIKey: FJXPEOGBIQHEMM-XVMARJQXSA-N
SMILES: N#N=NC[C@@H](NC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)C(=O)O

Received at FYIcenter.com on: 2026-01-29

Molecule ID: FYI-1016617 Edit

Molecule Structure InChIKey: FJXPEOGBIQHEMM-XVMARJQXSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016617
FYIcenter.com

 24 23  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    4.8498    2.1000    0.0000 C   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
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 S   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
   10.9119    2.8000    0.0000 N   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 N   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
   16.9740    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   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
    6.0622    4.2000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  1  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
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 14 13  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 10  2  0  0  0  0
 21  5  2  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016617-3D
FYIcenter.com

 42 41  0  0  1  0  0  0  0  0999 V2000
   -5.8575   -2.6449  -10.9419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3365   -2.2149  -10.0273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7685   -1.7343   -9.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -0.5472   -9.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3213   -0.0240   -7.9772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5371   -1.0640   -7.2892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2551   -1.0168   -5.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6011   -0.0643   -5.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390   -2.2238   -5.3973 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5467   -2.2517   -3.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -2.7003   -3.2323 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -2.1649   -5.7669 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4576   -2.1550   -7.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640   -1.9112   -8.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.3445   -7.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532   -3.7890   -7.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416   -4.6992   -8.2521 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5805   -4.8859   -8.2685 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   -6.0749   -8.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2146   -7.0084   -7.4821 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9346   -6.1670   -8.6754 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9097   -1.9198   -4.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4374   -1.7474   -6.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758   -1.9034   -8.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284   -4.2272   -6.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5511   -3.7612   -7.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426   -4.2640   -9.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3325   -5.4664   -9.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2210   -5.3738   -9.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9786    0.1984   -7.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 27  1  1  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9  7  1  0  0  0  0
  9 29  1  6  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 16  1  0  0  0  0
 17 38  1  6  0  0  0
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 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 141👍, 0💬