Molecule FYI-1016535

A

Molecule Summary:

ID: FYI-1016535
Names:
InChIKey: QWGVUCLIBQJMQE-DEEHTKSCSA-N
SMILES: CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)O

Received at FYIcenter.com on: 2026-01-19

Molecule ID: FYI-1016535 Edit

Molecule Structure InChIKey: QWGVUCLIBQJMQE-DEEHTKSCSA-N

Molecule Structure SMILES String: CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016535
FYIcenter.com

 38 37  0  0  1  0  0  0  0  0999 V2000
   23.0362    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 17  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  1  0  0  0
 11 17  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  6  0  0  0
 17 35  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  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 36  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 29  1  0  0  0  0
 32 26  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  6  0  0  0
 36 38  1  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016535-3D
FYIcenter.com

 76 75  0  0  1  0  0  0  0  0999 V2000
   16.1516    1.0476   14.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6767    0.0227   14.0113 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0752   -0.8877   12.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9349   -1.8506   12.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5654   -1.1750   11.9482 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5133   -2.1674   11.7741 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9363   -2.7829   12.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2772   -2.5315   14.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7628   -3.7356   12.5629 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6675   -4.7402   13.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8856   -5.6295   13.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9982   -6.6447   13.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8890   -5.1723   14.5383 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838   -4.3931   11.2592 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3080   -3.9367   10.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760   -2.8880   10.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5616   -4.8474    8.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5463   -5.8660    8.6751 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5918   -7.0546    9.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5339   -7.3413   10.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5581   -8.1380    8.9298 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2027   -8.9858    7.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2989   -7.5748    8.4496 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5385   -6.7824    9.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8298   -6.5987   10.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2461   -6.2236    8.6665 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0850   -7.1646    8.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4094   -6.0482    7.2199 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519   -5.1577    6.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1069   -4.5290    7.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357   -4.9933    5.1966 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4569   -3.8454    4.8906 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7595   -4.7677    4.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6747   -5.9628    4.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7502   -4.5403    3.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5862   -0.1916   10.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2577   -0.4700    9.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0584    1.0381   11.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0662    1.6546   15.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2260    1.7144   13.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0459    0.4259   14.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045   -1.4487   12.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2396   -0.1745   11.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8648   -2.6105   12.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2033   -2.3996   11.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2740   -0.6062   12.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1737   -2.3691   10.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8578   -3.1175   12.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5637   -4.2400   14.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7848   -5.3788   13.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7360   -4.2757   14.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -5.2720   11.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337   -5.3376    9.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6212   -4.2281    7.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6864   -5.5838    8.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320   -8.7502    9.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226   -8.4177    6.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944   -9.8674    7.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1982   -9.3284    8.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7617   -8.1302    7.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603   -5.2349    9.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2829   -8.1744    8.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1563   -6.8124    8.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9198   -7.2451   10.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703   -6.6993    6.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998   -5.8910    4.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8618   -3.0142    5.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553   -3.9748    5.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035   -3.8815    5.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3001   -6.8777    4.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7605   -6.1484    5.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6864   -5.7771    4.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3396   -5.4087    2.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7693   -4.3772    2.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1606   -3.6616    2.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2801    1.1304   12.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4 44  1  0  0  0  0
  4 45  1  0  0  0  0
  5 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5 46  1  1  0  0  0
  6  7  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9  7  1  0  0  0  0
  9 48  1  6  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 52  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 19  1  0  0  0  0
 21 56  1  1  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  1  0  0  0  0
 23 60  1  0  0  0  0
 24 25  2  0  0  0  0
 26 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 24  1  0  0  0  0
 26 61  1  1  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 29  1  0  0  0  0
 28 65  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 66  1  6  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
 34 71  1  0  0  0  0
 34 72  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 35 75  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 76  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 468👍, 0💬