Molecule Editor

Molecule ID: FYI-1006213 Edit

Molecule Structure InChIKey: IGVMSVOMJZTFTL-POFDKVPJSA-N

Molecule Structure SMILES String: CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006213
FYIcenter.com

 70 71  0  0  1  0  0  0  0  0999 V2000
    3.6372    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2487   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2745   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3367   15.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8238   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2487   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 22  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
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  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006213-3D
FYIcenter.com

139140  0  0  1  0  0  0  0  0999 V2000
   20.0826    3.8660   10.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3589    5.6397   11.0173 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0235    6.1633    9.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6181    5.8009   10.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5304    6.3302    9.4508 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.1946    6.0403    9.9800 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5173    6.8922   10.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9955    7.9382   11.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0831    6.4087   11.2003 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2568    7.4095   12.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8047    6.9274   12.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9398    7.8858   12.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3173    8.9340   13.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6649    7.4433   13.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2884    3.9587   11.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8278    2.0760   11.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4576    1.8778    9.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3674    1.4656    8.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6893    1.2648    9.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0822    1.4368   10.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4111   -2.1097   12.6382 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.1274   -3.5016   13.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0492   -4.5670   12.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1861    3.9166    6.3431 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3204    4.9084    5.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3858    6.0809    5.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0820    5.9901    5.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0187    2.0712    4.9625 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$