Molecule FYI-1016533

A

Molecule Summary:

ID: FYI-1016533
Names:
InChIKey: HXXXHHZKPIFLFS-NRPADANISA-N
SMILES: CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)O

Received at FYIcenter.com on: 2026-01-19

Molecule ID: FYI-1016533 Edit

Molecule Structure InChIKey: HXXXHHZKPIFLFS-NRPADANISA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016533
FYIcenter.com

 22 21  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 N   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
  2  1  1  1  0  0  0
  3 17  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  1  0  0  0
 11 17  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  6  0  0  0
 17 22  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016533-3D
FYIcenter.com

 46 45  0     1  0  0  0  0  0999 V2000
    3.9452   -0.4108    1.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352    0.5270   -0.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2489   -0.7242    1.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0249    1.9040   -0.8342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1935    2.2036   -0.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    0.5679    0.3809 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7003    1.4339    0.6040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702   -1.3405    0.4585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0921   -0.7026   -0.6795 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9732    0.2367   -1.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438    1.0625   -0.2147 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1414   -0.0144    1.1088 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5717    0.3182    0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7476   -1.0234   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151   -0.1405   -2.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061   -0.2292    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408   -1.7307   -0.2922 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7107    0.8744    2.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1541   -3.2357   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1392   -0.9912    0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3397   -0.0431   -0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2490    1.4581   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6577    0.8630   -2.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0699    1.9901   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2424    0.7481   -2.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0308    1.2028   -0.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4069    2.0780    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3855    1.8584    1.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5350    1.0318    2.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9918    2.8828   -0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 16  2  0  0  0  0
  3 20  2  0  0  0  0
  4 22  1  0  0  0  0
  4 46  1  0  0  0  0
  5 22  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 32  1  0  0  0  0
  7 11  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 39  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 43  1  0  0  0  0
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 10 14  1  0  0  0  0
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 12 18  1  0  0  0  0
 12 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
$$$$

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2026-04-13, 278👍, 0💬