Molecule FYI-1006974

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A

Molecule Summary:

ID: FYI-1006974
Names:
InChIKey: DATAGRPVKZEWHA-UHFFFAOYSA-N
SMILES: CCNC(=O)CCC(N)C(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006974 Edit

Molecule Structure InChIKey: DATAGRPVKZEWHA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC(=O)CCC(N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006974
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006974-3D
FYIcenter.com

 26 25  0     1  0  0  0  0  0999 V2000
   -1.9707   -1.2180    0.3552 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359    1.8111   -0.3926 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2871    0.5178    1.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226    0.9370   -0.3131 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706   -1.6916   -0.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617   -0.8895   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973   -0.5466   -0.5909 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2184    0.2589   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6497   -0.1160   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421    0.6157    0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9420    0.8480   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2914   -0.5269    0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7270   -1.1551    0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4251   -1.7766   -0.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604   -0.3043   -1.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1863    0.5569   -1.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0459    1.1296    0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1607    1.8142   -0.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7511   -2.4955   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9912   -1.9661    0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2039    1.6307    0.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4639    1.0497   -0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1168   -1.3315   -0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8499   -0.7351    1.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3752   -0.5452    0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779    2.5591    0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  1  0  0  0  0
  2 26  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
$$$$

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2024-01-31, 265👍, 0💬