Molecule Editor

Molecule ID: FYI-1007457 Edit

Molecule Structure InChIKey: BJSXIKBHALJNME-YTFOTSKYSA-N

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-1007457
FYIcenter.com

 46 45  0  0  1  0  0  0  0  0999 V2000
   19.3990    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.3990    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
   20.6114    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    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  0  0  0  0  0  0  0  0  0  0  0
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   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
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   14.5493    0.0000    0.0000 O   0  0  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  0  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  0  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
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
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 12 11  1  6  0  0  0
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 32 31  1  6  0  0  0
 33 46  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
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 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 32  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 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-1007457-3D
FYIcenter.com

 83 82  0  0  1  0  0  0  0  0999 V2000
    1.0794   -0.1351    0.3900 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5905   -0.0212    0.3444 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9494    0.6720   -0.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4488    0.8603   -1.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1392   -0.4743   -1.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493   -1.2747   -0.3802 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -0.7465   -2.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0515    0.7985    1.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645    1.6020    2.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216    0.5782    2.0268 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061    1.2905    3.1837 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4428    0.6327    4.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122    1.3745    5.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4964    0.6788    7.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585   -0.3634    7.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9494    1.3225    8.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4540    1.2356    3.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9968    0.3195    2.4248 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1584    2.2322    3.6786 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6409    2.3380    3.6819 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0996    2.9400    2.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6124    2.9897    2.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9583    3.7387    0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875    3.9209   -0.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1973    4.2678    0.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0461    3.2353    4.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1811    3.7986    5.5684 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9890    4.2295    6.1840 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1557    3.4690    7.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9369    5.0439    8.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$