Molecule Editor

Molecule ID: FYI-1014218 Edit

Molecule Structure InChIKey: VHGZJIFZNVQLRV-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(=O)OC3CC(C)(C)N(CCOC(=O)CCC(=O)OC2CC(C)(C)N(CCOC(=O)CCC(=O)OC1CC(C)(C)N(CCO)C(C)(C)C1)C(C)(C)C2)C(C)(C)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014218
FYIcenter.com

 62 64  0  0  0  0  0  0  0  0999 V2000
   14.3617   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   11.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   13.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   14.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   16.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   13.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6742   15.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2742   15.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   11.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0617   11.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   10.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    9.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8241    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    9.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   16.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   16.0997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   14.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   18.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   17.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   13.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    3.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6115    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   16.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   18.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 17 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 30 31  1  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  0  0  0  0
 29 40  1  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
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 45 46  1  0  0  0  0
 41 46  1  0  0  0  0
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 55 58  2  0  0  0  0
 33 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 56 62  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014218-3D
FYIcenter.com

141143  0  0  0  0  0  0  0  0999 V2000
    0.7615    2.3357   11.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1777    2.2717   12.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8695    2.0535   11.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3657    1.9150    9.9016 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3492    2.0062   11.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2075    1.7838   10.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6724    1.7212   10.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0927    1.3225   11.5164 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4508    2.1548    9.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8734    2.2215    9.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1688    3.4638   10.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6751    3.7596   10.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5981    5.2210   11.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2057    2.8536   11.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4786    3.6481    9.4199 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9551    3.7925    9.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4392    5.1283   10.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8712    5.2193   10.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3592    6.2995    9.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7266    7.1317    8.7783 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8409    6.4016    9.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5742    5.1493    9.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0533    5.3244    9.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5797    6.0086   10.2413 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7456    4.5709    8.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1824    4.6654    8.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6506    5.9084    7.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1907    6.0359    7.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4083    7.1877    6.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6487    6.5872    9.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8603    4.7615    7.3218 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.3337    4.7904    7.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2065    4.9267    8.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6035    4.9104    8.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0818    6.1325    7.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4267    7.1232    7.4724 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5839    6.1049    7.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1159    7.5113    8.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6320    8.0179    9.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3280    7.2896   10.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5085    9.3702    9.3398 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5283    9.8869   10.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1729    9.7506    9.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0213   10.3945   10.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8496   10.3830    9.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6207    9.4216   11.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3321   11.8115   10.8777 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2528   12.3582   11.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3626   13.8105   12.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2222   14.1892   13.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7325   12.0537   11.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1313   13.5633   11.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9712   11.6289   12.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7819   11.3624   10.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2949    3.4564    7.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6447    2.3136    6.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7993    2.9835    9.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7503    3.4614    7.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1221    2.5279    8.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6243    2.8489    7.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7289    1.1562    8.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5874    2.3762    8.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3813    1.3876   11.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962    3.1635   11.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5166    1.1962   12.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6330    2.9539   11.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0410    2.6050    9.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9408    0.8452    9.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1918    1.3062   10.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6550    3.4047   11.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6913    4.3145    9.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8941    5.2730   12.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2362    5.9154   10.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5137    5.6297   11.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6759    3.0512   12.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2670    3.0185   12.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0672    1.7926   11.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4495    3.7117    8.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9451    5.9503    9.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0195    6.6253   10.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1970    7.2680    9.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3488    4.9592    8.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2564    4.2705    9.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4925    4.6637    9.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2269    6.7958    8.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2171    5.9206    6.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9991    6.9320    5.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0896    7.4883    9.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6727    6.9461    9.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5221    5.8653    9.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6101    5.5664    6.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6789    3.8918    6.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0614    4.1401    9.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
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   31.2081    7.5142    8.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$