Molecule FYI-1007717

A

Molecule Summary:

ID: FYI-1007717
Names:
InChIKey: PZOSITNOBJPJRF-UHFFFAOYSA-N
SMILES: CCOC(=O)NCCN(CCNC(=O)OCC)CCNC(=O)OCC

Received at FYIcenter.com on: 2024-03-14

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
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   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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
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    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
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    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
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  1  2  1  0  0  0  0
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  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
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  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
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  8 35  1  0  0  0  0
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  9 18  1  0  0  0  0
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 13 14  2  0  0  0  0
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 25 55  1  0  0  0  0
M  END
$$$$

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2024-03-23, 175👍, 0💬