Molecule Editor

Molecule ID: FYI-1007717 Edit

Molecule Structure InChIKey: PZOSITNOBJPJRF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)NCCN(CCNC(=O)OCC)CCNC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007717
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    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
   12.1244    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007717-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    2.3178    6.0080   -0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9602    4.6277   -1.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085    3.6686   -0.4928 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552    3.4484   -0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308    3.6983   -2.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661    3.0567    0.0493 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028    3.2185   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5952    4.7152   -0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    5.0100   -0.2691 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6723    4.3515   -1.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339    4.7093   -2.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7534    3.9565   -3.9252 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292    2.5973   -3.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603    1.8691   -3.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3842    2.1735   -5.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7878    0.7979   -5.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1291    0.7312   -4.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2939    6.4676   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9188    7.1765    1.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1523    8.6022    1.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3047    9.4486    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    9.1143   -0.2073 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9530   11.4924   -1.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    6.7890   -1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895    6.2050   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063    6.0687    0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499    4.5481   -2.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    4.4243   -1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3382    3.0720    0.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5161    2.6609   -0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615    2.7640    0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    5.1796    0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    5.1909   -1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6184    3.2727   -1.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7512    4.5555   -1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3287    5.7655   -3.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0395    0.1676   -4.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.2768   -4.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4591   -0.3014   -4.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0784    1.2139   -3.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7773    6.9451   -1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3673    6.6393   -0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5046    6.7705    1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8584    7.0430    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0238    8.9963    1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3524   12.6292   -0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1474   11.4507   -0.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0154   11.7254   -1.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5324   12.1630   -2.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9038   10.4639   -2.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  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
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
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 25 55  1  0  0  0  0
M  END
$$$$