Molecule FYI-1012398

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A

Molecule Summary:

ID: FYI-1012398
Names:
InChIKey: XGDYPTWDFPMLHG-UHFFFAOYSA-N
SMILES: NC(=O)CCC(N)C(=O)NC(CCCNO)C(=O)O

Received at FYIcenter.com on: 2024-09-02

Molecule ID: FYI-1012398 Edit

Molecule Structure InChIKey: XGDYPTWDFPMLHG-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1012398
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    7.2747    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    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
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  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  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  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  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012398-3D
FYIcenter.com

 39 38  0  0  1  0  0  0  0  0999 V2000
    1.2029   -1.9639   -2.7031 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365   -1.6991   -2.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908   -0.9968   -3.4491 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282   -2.3433   -1.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7248   -2.0277   -1.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4929   -2.6459   -0.2361 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4132   -4.1250   -0.2078 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813   -2.2083   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3567   -1.1020   -0.6593 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8521   -3.1555    0.1993 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2966   -2.9789    0.2410 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7305   -2.2503    1.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4025   -3.0404    2.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552   -2.3030    4.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4811   -3.0999    5.2205 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9657   -2.3469    6.3637 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9803   -4.3467    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3819   -5.4155    0.0437 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3319   -4.2851    0.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998   -1.5674   -3.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046   -2.5551   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0587   -3.4222   -1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547   -1.9753   -0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   -0.9365   -1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1791   -2.3525   -2.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891   -2.2652    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7595   -4.4914   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405   -4.4192   -0.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -4.0657    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5794   -2.3808   -0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365   -1.2710    1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8092   -2.0519    1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8909   -4.0216    2.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3216   -3.2186    2.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3691   -1.3220    4.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9401   -2.1462    4.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0526   -3.9494    5.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1397   -2.2060    6.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7009   -3.3823    0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$

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2024-09-28, 1422👍, 0💬