Molecule FYI-1016443

A

Molecule Summary:

ID: FYI-1016443
Names:
InChIKey: UXIGZRQVLGFTOU-VQXQMPIVSA-N
SMILES: CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C4CC4

Received at FYIcenter.com on: 2026-01-08

Molecule ID: FYI-1016443 Edit

Molecule Structure InChIKey: UXIGZRQVLGFTOU-VQXQMPIVSA-N

Molecule Structure SMILES String: CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C4CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016443
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
   13.7120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7120    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0120    5.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1035    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7341    0.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0341    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9709    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.0876    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  1  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 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 22  1  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  6  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 32  1  0  0  0  0
 38 30  1  0  0  0  0
 38 39  1  1  0  0  0
 40 38  1  0  0  0  0
 40 41  1  6  0  0  0
 42 40  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 44 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016443-3D
FYIcenter.com

 94 97  0  0  1  0  0  0  0  0999 V2000
    3.2083    2.1635    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6111    0.7542    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732    0.8599    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0683    0.0337   -1.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0871   -0.1956    1.5837 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6559    0.5410    2.7468 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131   -1.5529    1.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825   -0.2315    1.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4990   -1.0167    2.8348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0379   -2.4830    3.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6166   -3.4367    2.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5072   -4.4415    2.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2160   -5.1748    1.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0450   -4.9094    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1028   -3.9733   -0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630   -3.2772    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0329   -0.9344    2.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5645   -0.3247    1.7810 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7675   -1.5115    3.7230 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2494   -1.5655    3.7514 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9067   -0.1893    3.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6212    0.7069    4.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    1.4993    5.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7872    2.0535    6.2395 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9932    1.5804    6.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5207    0.7687    5.7681 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621   -2.3326    5.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8925   -3.1713    5.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9229   -2.0716    5.5934 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3438   -2.5813    6.9293 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4594   -4.1348    6.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8981   -4.7944    8.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0063   -6.3215    8.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6165   -6.9204    9.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7666   -6.5944   10.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5053   -5.0953   10.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9706   -4.4758    9.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6985   -1.9165    7.4077 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7261   -2.1499    6.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6072   -0.4071    7.7469 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6062   -0.1817    8.7386 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8967    0.2049    8.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9496    1.6916    8.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7062    1.1353    7.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827    2.7566   -0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3019    2.1379    0.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8994    2.6966    1.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288    1.4249   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6906    1.3654    0.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6044   -0.1299    0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516    0.5861   -2.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6394   -0.9721   -1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562   -0.0651   -1.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907    0.8183    1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   -0.5819    0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299   -0.4693    3.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499   -2.5749    3.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3570   -2.8093    4.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6859   -4.6404    3.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9227   -5.9354    1.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6378   -5.4371   -0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9497   -3.7680   -1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6105   -2.5831    0.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3249   -2.1824    4.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496   -2.2005    2.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6152    0.3074    2.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9948   -0.3219    3.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6196    1.6962    4.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1958    2.6922    6.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4329    1.8505    7.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1851   -1.0985    5.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5397   -2.3024    7.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1706   -4.4207    6.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5025   -4.5789    6.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9055   -4.4372    8.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6280   -6.5811    7.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140   -6.7587    7.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6284   -6.5184    9.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7173   -8.0055    9.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2660   -6.9627   11.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8093   -7.1241   10.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4397   -4.5903   10.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7967   -4.9171   11.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8769   -3.3952    9.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9618   -4.8599    9.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0204   -2.4022    8.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4380   -1.7192    5.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3517    0.1334    6.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9605   -0.5057    9.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4346   -0.4468    8.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    2.0305    9.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0767    2.3000    8.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7873    1.0943    7.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3424    1.3890    6.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  4 51  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 54  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 56  1  1  0  0  0
 10 11  1  0  0  0  0
 10 57  1  0  0  0  0
 10 58  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 59  1  0  0  0  0
 13 14  1  0  0  0  0
 13 60  1  0  0  0  0
 14 15  2  0  0  0  0
 14 61  1  0  0  0  0
 15 16  1  0  0  0  0
 15 62  1  0  0  0  0
 16 63  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 20 65  1  6  0  0  0
 21 22  1  0  0  0  0
 21 66  1  0  0  0  0
 21 67  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 24 69  1  0  0  0  0
 25 26  2  0  0  0  0
 25 70  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 71  1  0  0  0  0
 30 31  1  0  0  0  0
 30 38  1  0  0  0  0
 30 72  1  1  0  0  0
 31 32  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 32 75  1  0  0  0  0
 33 34  1  0  0  0  0
 33 76  1  0  0  0  0
 33 77  1  0  0  0  0
 34 35  1  0  0  0  0
 34 78  1  0  0  0  0
 34 79  1  0  0  0  0
 35 36  1  0  0  0  0
 35 80  1  0  0  0  0
 35 81  1  0  0  0  0
 36 37  1  0  0  0  0
 36 82  1  0  0  0  0
 36 83  1  0  0  0  0
 37 84  1  0  0  0  0
 37 85  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 86  1  1  0  0  0
 39 87  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 88  1  6  0  0  0
 41 89  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 90  1  0  0  0  0
 43 44  1  0  0  0  0
 43 91  1  0  0  0  0
 43 92  1  0  0  0  0
 44 93  1  0  0  0  0
 44 94  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 555👍, 0💬