Molecule Editor

Molecule ID: FYI-1016136 Edit

Molecule Structure InChIKey: IGTJZXFFMVTNSA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCCC(=O)NCCCCCCNC(=O)CCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016136
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
    9.1612    2.2415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2132    3.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3599    2.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5936    3.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7929    2.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8747    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0769    2.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0262    3.5017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0553    2.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1860    1.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3100    3.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3270    3.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2888    4.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0038    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2050    2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3805    2.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2225    1.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3806    2.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1675    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8680    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5348    1.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8747    3.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6533    3.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    3.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049    3.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659    4.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    5.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 14 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
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016136-3D
FYIcenter.com

 64 63  0  0  0  0  0  0  0  0999 V2000
    5.6432   -0.1481   -1.7283 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2643   -1.0966   -1.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218   -2.2537   -1.9459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212   -1.1132    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250    0.2121    0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3943    0.1937    2.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1862    1.5330    2.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8519    1.5742    4.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    1.3562    4.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8971    0.4253    4.8141 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0226    2.2762    3.4680 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4493    2.1735    3.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2294    2.9168    4.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7347    2.7644    4.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5315    3.5032    5.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0401    3.3544    4.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8069    4.1040    6.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2395    4.0077    5.8993 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9376    4.9234    5.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4116    5.8758    4.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4264    4.6649    5.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7435    3.3088    4.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1942    3.1713    3.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5222    1.7909    2.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9923    1.5972    1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3380    0.2186    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9512   -0.6342    1.1270 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8884    0.0072   -0.7528 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337   -2.9395   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9949   -1.2925   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4888   -1.9287    0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6535    0.4172    0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1368    1.0386    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4648   -0.0044    2.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9835   -0.6202    2.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117    1.7157    3.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5701    2.3444    2.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4276    0.7974    4.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6643    2.5377    4.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    3.0532    3.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6673    2.5809    2.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7256    1.1122    3.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9578    2.5324    5.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9529    3.9788    4.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0007    3.1529    3.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0002    1.7004    4.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2615    3.1151    6.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2633    4.5667    5.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159    3.7395    3.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3168    2.2927    4.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5712    3.6926    7.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5241    5.1617    6.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7299    3.2415    6.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8497    4.7279    6.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8841    5.4688    4.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3360    2.5054    5.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8315    3.1716    4.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6232    3.9521    2.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1065    3.3111    3.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0952    1.0209    3.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6092    1.6442    2.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4370    2.3421    0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9022    1.7083    1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4146    0.7675   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 64  1  0  0  0  0
M  END
$$$$