Molecule Editor

Molecule ID: FYI-1006212 Edit

Molecule Structure InChIKey: OPFQLRORFOLUBK-WPMUBMLPSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006212
FYIcenter.com

 60 61  0  0  1  0  0  0  0  0999 V2000
    8.4871    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    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
    8.4871    6.3000    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
   20.6114    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   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
    3.6373    4.9000    0.0000 N   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
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   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    4.2000    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
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
   25.4612    6.3000    0.0000 C   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
   13.3368    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 N   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
   26.6736    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 S   0  0  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
   21.8239    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 27  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
 11  9  1  0  0  0  0
 12 11  1  6  0  0  0
 13 27  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 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  6  0  0  0
 27 55  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
 35 26  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  1  0  0  0
 39 58  1  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 38  1  0  0  0  0
 46 45  2  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  6  0  0  0
 39 49  2  0  0  0  0
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 51 50  1  0  0  0  0
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 53 52  2  0  0  0  0
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 55 54  1  6  0  0  0
 49 56  1  0  0  0  0
 57 55  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  2  0  0  0  0
 60 59  1  0  0  0  0
 56 60  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006212-3D
FYIcenter.com

115116  0  0  1  0  0  0  0  0999 V2000
   14.6994   -2.7670    4.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5835   -1.6848    3.3181 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8168   -0.9483    3.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537   -1.2575    2.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2202   -1.7498    3.2594 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3696   -0.2275    1.9895 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1297    0.2715    1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3827    1.4665    0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0755    2.0831    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1587    2.6236    1.1241 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8921    3.0776    0.5437 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7115    3.0129    1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    2.5317    2.3886 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4697    3.5907    0.5375 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2490    2.9025    1.0229 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3019    5.0910    0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4396    5.9744    0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6111    5.8503   -1.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2827    4.9720   -1.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8952    6.7437   -1.8723 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8963    3.7553    1.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0816    4.8748    1.4315 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3734    3.3824    3.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2003    4.2420    4.0220 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7810    4.0841    5.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3413    4.4202    5.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5154    3.4691    6.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    3.7632    6.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611    5.0124    6.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    5.9754    5.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8157    5.6828    5.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7199    3.8933    3.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1536    2.9569    3.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5608    4.7043    4.6895 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0206    4.4999    4.7830 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7019    4.6609    3.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2124    4.4166    3.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5557    3.0110    3.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6981    2.6603    4.9532 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6379    2.1513    2.7534 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6164    5.5194    5.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4670    6.3446    5.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1459    5.4458    7.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    6.2452    8.1765 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.6870    7.7711    7.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9793    8.4076    7.7880 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0810    5.8858    9.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7726    6.1840   10.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1951    6.0497   12.0002 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6655    4.6435   12.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6935    3.5408   12.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4850    0.5614    2.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9871    1.1467   -0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9790    2.2280    1.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5341    1.3276   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$