Molecule Editor

Molecule ID: FYI-1007459 Edit

Molecule Structure InChIKey: BJSXIKBHALJNME-YTFOTSKYSA-I

Molecule Structure SMILES String: [NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007459
FYIcenter.com

 46 45  0  0  1  0  0  0  0  0999 V2000
   19.3991    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.3991    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.6115    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8241    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0365    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2489    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0365    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.1867    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 23  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
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 42 41  1  6  0  0  0
 43 46  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007459-3D
FYIcenter.com

 78 77  0  0  1  0  0  0  0  0999 V2000
    2.9610    6.5631   -1.0858 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1341    6.4140    0.3946 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7836    6.5487    1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0673    7.8982    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6575    8.1551   -0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4863    7.7715   -0.8007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    8.5659   -1.1977 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7418    5.0107    0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9158    4.3369   -0.4160 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988    4.6030    1.8936 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286    3.4035    2.2014 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4471    2.1862    1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1080    0.8828    1.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7230   -0.3190    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097   -0.0861   -0.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424   -1.4280    1.5164 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3347    3.7884    2.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6557    4.7158    1.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2340    3.0207    2.8007 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    3.2162    2.8328 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3034    3.4640    1.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8294    3.5077    1.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3520    3.8228   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0013    4.9338   -0.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1139    2.9453   -0.5030 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.0834    4.3626    3.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3597    5.3324    3.9415 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2778    4.1860    4.5087 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8921    5.1646    5.4334 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9048    6.0257    6.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9762    5.2008    7.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9105    5.9736    7.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8902    7.2306    7.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1404    5.2510    8.6240 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.8488    4.4085    6.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    3.2313    6.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8813    5.1563    6.9438 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$