Molecule FYI-1014483

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A

Molecule Summary:

ID: FYI-1014483
Names:
InChIKey: XUUXCWCKKCZEAW-YFKPBYRVSA-N
SMILES: N=C(N)NCCC[C@H](N)C(=O)NCC(=O)O

Received at FYIcenter.com on: 2025-04-21

Molecule ID: FYI-1014483 Edit

Molecule Structure InChIKey: XUUXCWCKKCZEAW-YFKPBYRVSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014483
FYIcenter.com

 16 15  0  0  1  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    1.4000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   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
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 15  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014483-3D
FYIcenter.com

 33 32  0     1  0  0  0  0  0999 V2000
   -1.9400    1.0832    1.4708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230   -1.9459   -0.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6074   -2.2760    0.1768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725    3.2441    0.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6480    0.6323   -0.6908 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3302   -0.1706   -0.3769 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6286   -0.0003   -0.6215 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8568   -1.5750    0.8345 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7676    1.2520    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683    1.8370   -0.3781 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8880   -0.2447   -0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -0.8408    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7713    1.1453    0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8701   -0.0383   -0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5177   -0.5788   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6918   -1.5234   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691    1.3869    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902    1.8057   -0.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.7761   -1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8013   -0.3904   -1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0686   -0.7993    0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088   -1.9113    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648   -0.7267    1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6402    3.3314    1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5695    3.6240   -0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4305    0.7072   -1.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5896    0.1283   -1.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2476    0.3866    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5404    0.7507   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659   -0.3046   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8277   -1.8107    1.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594   -2.1069    1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3324   -2.9143   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 16  1  0  0  0  0
  2 33  1  0  0  0  0
  3 16  2  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  2  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  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 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1273👍, 0💬