Molecule Editor

Molecule ID: FYI-1002983 Edit

Molecule Structure InChIKey: AGLOLSLAXUNTDH-SPEDKVCISA-O

Molecule Structure SMILES String: C[C+]5(Cl)=C(c2ccc1c(N)[nH]nc1c2)N=C([C@H](Cc3ccccc3)NC(=O)[C@H]4CC[C@H](C[NH3+])CC4)N5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002983
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.2119   13.4814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   12.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8531   11.3890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442   10.0196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365    9.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7517    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    6.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    6.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    7.7544    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    8.7975    8.8870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.4982   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1059   11.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8608    8.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  9 10  2  0  0  0  0
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 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 20  1  1  0  0  0
 22 23  1  0  0  0  0
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 31 32  1  0  0  0  0
  7 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35  2  2  0  0  0  0
 35  5  1  0  0  0  0
 31  8  2  0  0  0  0
 18 13  1  0  0  0  0
 29 22  1  0  0  0  0
 31 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002983-3D
FYIcenter.com

 70 74  0  0  1  0  0  0  0  0999 V2000
   -1.6391   -5.4380   -1.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2446   -6.0210   -1.2206 C   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$