Molecule Editor

Molecule ID: FYI-1002530 Edit

Molecule Structure InChIKey: WXIZXICELTWCHK-TXTPUJOMSA-O

Molecule Structure SMILES String: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C=O)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002530
FYIcenter.com

 34 34  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 N   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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9742    4.2000    0.0000 C   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
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    5.6000    0.0000 C   0  0  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
   18.1866    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  1  0  0  0
  9  8  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 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  1  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 12  1  0  0  0  0
 27  8  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31  4  1  0  0  0  0
 32  2  1  0  0  0  0
 32 33  1  6  0  0  0
 34 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002530-3D
FYIcenter.com

 72 72  0  0  1  0  0  0  0  0999 V2000
    6.2143   -8.9588    4.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6798   -8.3157    5.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2457   -9.4001    6.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183   -7.3796    6.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1663   -6.1816    5.3475 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1552   -5.4003    6.1094 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0971   -4.5803    5.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400   -4.4526    4.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0274   -3.8461    6.5359 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2330   -2.9353    7.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6218   -3.1460    7.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2614   -1.9569    5.4689 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6019   -2.5299    4.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5548   -1.8385    6.2434 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9344   -5.3016    5.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0899   -5.0820    5.9427 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8583   -4.7116    3.8316 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6840   -3.9243    3.4648 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8163   -2.4964    3.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310   -3.9727    1.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2464   -3.3936    1.5462 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$