Molecule Editor

Molecule ID: FYI-1012397 Edit

Molecule Structure InChIKey: HJLDGPPHZKJPIF-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCC(NC(=O)C(N)CO)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012397
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   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
    7.2747    0.0000    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
    9.6995    1.4000    0.0000 O   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 C   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
  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  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012397-3D
FYIcenter.com

 29 28  0  0  1  0  0  0  0  0999 V2000
    2.5855   -2.5862    1.2911 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2019   -2.4445   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123   -1.1806   -0.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3485   -1.1546   -0.7562 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9226   -1.1950    0.5978 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1389   -0.6130    0.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8076   -0.0443    0.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6140   -0.8291    2.3384 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7667   -2.2797    2.6023 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9374   -0.0712    2.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -0.2283    3.8828 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -2.3116   -1.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5647   -2.4989   -2.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6851   -3.1673   -0.9487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531   -3.4473    1.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1245   -1.8419    1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094   -2.3880   -0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5090   -3.3358   -0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458   -0.3040   -0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350   -1.0845   -1.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861   -0.2270   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247   -1.5808    1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8513   -0.4465    3.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653   -2.6404    2.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -2.8018    2.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7902    1.0025    2.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7112   -0.4104    1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -0.2975    4.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7974   -2.8406   -0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$