Molecule FYI-1015795

A

Molecule Summary:

ID: FYI-1015795
Names:
InChIKey: JQTLMAWNKKDMIZ-ZUQBTQFZSA-N
SMILES: CC(=O)NC1[C@H](O)OC(C(=O)[C@@H](N)CCC(=O)N[C@@H](C)C(=O)NCCCC[C@H](N)C(=O)O)[C@H](O)C1O

Received at FYIcenter.com on: 2025-10-13

Molecule ID: FYI-1015795 Edit

Molecule Structure InChIKey: JQTLMAWNKKDMIZ-ZUQBTQFZSA-N

Molecule Structure SMILES String: CC(=O)NC1[C@H](O)OC(C(=O)[C@@H](N)CCC(=O)N[C@@H](C)C(=O)NCCCC[C@H](N)C(=O)O)[C@H](O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015795
FYIcenter.com

 36 36  0  0  1  0  0  0  0  0999 V2000
   23.0363    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 O   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
   19.3990    2.8000    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
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    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 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
   14.5493    4.2000    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
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    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
    8.4871    4.9000    0.0000 N   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 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  1  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  6  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  6  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015795-3D
FYIcenter.com

 73 73  0  0  1  0  0  0  0  0999 V2000
   21.2779   17.9640    3.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9480   17.3964    2.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1424   17.5957    2.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1346   16.7389    1.5153 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4914   16.1789    0.1252 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.8612   16.5973   -0.4695 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.9649   16.2916    0.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8366   17.9571   -0.9507 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9004   18.2636   -2.0260 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.0604   17.4360   -3.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9753   16.6057   -3.3901 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9523   17.4384   -4.4307 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.2943   18.7212   -4.6075 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5846   17.0640   -5.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1653   15.6493   -5.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1132   14.5528   -5.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5730   14.1004   -6.7611 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8259   14.1199   -4.4809 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9969   12.9171   -4.2927 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.8181   11.6393   -4.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2411   12.7983   -2.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3092   11.8217   -2.2208 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3633   13.8598   -2.6233 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3901   13.8976   -1.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8667   13.8722   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6309   15.0237    0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2622   16.5617    0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4795   17.3034    1.6299 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.3126   17.5867    2.8311 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3445   16.3906    1.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3791   16.1802    1.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6609   15.7126    3.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4917   17.9924   -1.5447 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.0039   18.8888   -0.5543 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5437   16.5184   -1.1702 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.3795   15.8808   -1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0327   18.2361    4.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6177   17.2283    4.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7484   18.8680    3.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4785   16.1494    2.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5212   15.0938    0.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0408   15.9219   -1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7572   16.6378    1.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0366   19.3154   -2.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1770   16.7001   -4.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9335   19.5189   -4.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4817   18.9145   -4.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3888   17.7845   -5.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8387   17.1919   -6.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9933   15.4487   -5.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6231   15.5666   -6.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5078   14.3206   -3.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2126   12.9347   -5.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6181   11.5421   -3.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2821   11.6327   -5.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1872   10.7472   -4.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4985   14.6871   -3.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7546   13.0116   -1.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7595   14.7803   -1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5294   12.9947    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0037   13.6527    0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5917   14.8627    0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8890   14.7484    1.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8164   16.8868   -0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1987   17.1063    0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1397   18.2718    1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2028   17.9489    2.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9130   18.4200    3.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5234   16.1068    3.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7421   18.1110   -2.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6540   18.9490    0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1330   15.9789   -1.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6192   16.4669   -1.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 41  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  6  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 45  1  1  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 53  1  6  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 30  1  0  0  0  0
 28 29  1  0  0  0  0
 28 27  1  0  0  0  0
 28 66  1  6  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 69  1  0  0  0  0
 33 35  1  0  0  0  0
 33 34  1  0  0  0  0
 33 70  1  6  0  0  0
 34 71  1  0  0  0  0
 35 36  1  0  0  0  0
 35 72  1  0  0  0  0
 36 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-14, 453👍, 0💬