Molecule FYI-1014930

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A

Molecule Summary:

ID: FYI-1014930
Names:
InChIKey: JLXVRFDTDUGQEE-YFKPBYRVSA-N
SMILES: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)O

Received at FYIcenter.com on: 2025-06-10

Molecule ID: FYI-1014930 Edit

Molecule Structure InChIKey: JLXVRFDTDUGQEE-YFKPBYRVSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014930
FYIcenter.com

 16 15  0  0  1  0  0  0  0  0999 V2000
   12.1244    2.1000    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
    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   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
    7.2746    0.7000    0.0000 C   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
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  6  0  0  0
  7 15  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014930-3D
FYIcenter.com

 33 32  0     1  0  0  0  0  0999 V2000
    1.7700    2.1228    1.4828 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765    3.3753   -0.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982   -1.2333   -1.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0210   -0.0249    0.2585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769   -0.3055    0.5297 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491   -2.5742    0.4991 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9819   -0.8727   -1.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4265   -0.8886    1.1708 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437    0.5827   -1.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.9836   -0.5848 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9892    0.3466    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304   -0.0893   -0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4088    2.2913    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8130   -1.0596   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2718   -1.9887    0.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4782   -0.6656    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1359   -0.3313   -1.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3311    1.3660   -1.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.1340   -1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6311   -0.4234    0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286    1.2611    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7008    0.6914   -1.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1939   -1.0153   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8141    0.0072    1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5189   -2.7708    1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3870   -1.4464    1.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    2.9659    1.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4528   -3.0727   -0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2356   -1.8373    0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171   -0.7541   -1.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9460   -1.1557   -1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3711   -1.1716    0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2055   -0.7769    2.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 27  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  2  0  0  0  0
  6 15  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 16  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 16  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

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