Molecule Editor

Molecule ID: FYI-1016521 Edit

Molecule Structure InChIKey: TZJPPVSVPKMNJR-AVGNSLFASA-N

Molecule Structure SMILES String: C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016521
FYIcenter.com

 28 27  0  0  1  0  0  0  0  0999 V2000
    6.0622    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   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
    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
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    5.6000    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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  6  0  0  0
 13 23  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  1  0  0  0
 23 28  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016521-3D
FYIcenter.com

 62 61  0  0  1  0  0  0  0  0999 V2000
   -3.5717   -2.1097   -2.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1097   -3.0268   -1.0718 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4572   -2.3348    0.0466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6638   -1.2162   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649   -0.7848   -1.1998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853   -0.5047    1.2201 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3461   -0.3614    1.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9323    0.3295    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4442    0.4800    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    1.1624   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4319    1.3003   -0.9890 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4856   -1.5302    4.1102 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1360   -0.6578    5.2525 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9694   -2.8865    2.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8437   -3.9824    1.8069 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$