Molecule FYI-1016523

A

Molecule Summary:

ID: FYI-1016523
Names:
InChIKey: YLEIWGJJBFBFHC-KBPBESRZSA-N
SMILES: NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)O

Received at FYIcenter.com on: 2026-01-15

Molecule ID: FYI-1016523 Edit

Molecule Structure InChIKey: YLEIWGJJBFBFHC-KBPBESRZSA-N

Molecule Structure SMILES String: NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016523
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
    9.6994    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  1  0  0  0
 18 24  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016523-3D
FYIcenter.com

 51 51  0     1  0  0  0  0  0999 V2000
   -0.6981    0.2562    1.9433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -4.1871    0.7778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -2.9334   -1.0202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7746    2.2637   -1.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.8237    0.1268 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    2.6103    0.5667 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4091   -1.5593   -0.7981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7463    3.8280   -0.2019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4938   -2.5133   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757   -2.1585    0.4378 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6896   -1.6500    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5173    1.5761    0.3136 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0034   -2.0679   -0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8850    1.9051    0.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321    0.2855    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1800   -1.1658   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0113    1.1335    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243   -3.0947   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856   -0.1097    0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6780    1.6640   -0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5296    2.8722   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3684    4.0325    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269   -0.8226    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7192    0.9512   -1.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0936   -0.2921   -0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3706   -2.4349   -1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7296   -3.5662   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2776   -2.2421    1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4939   -0.6026   -0.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8081   -1.7010    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5993    1.4693   -0.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8702   -2.0498   -1.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322   -3.1055   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853    1.7228    2.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0943    2.9780    0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984   -0.6891   -0.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3392   -1.2014    0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500   -0.1278   -0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3668    3.1364    1.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.5327    1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939    2.6304   -1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1774   -0.9740   -0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6500   -2.5161   -0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9674    4.9602   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3323    4.0951    1.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7182   -1.7906    0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2379    1.3638   -2.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268   -4.8030    0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9040   -0.8472   -1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7972    3.8412   -1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3162    4.6103    0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 18  1  0  0  0  0
  2 48  1  0  0  0  0
  3 18  2  0  0  0  0
  4 21  2  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 36  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  6 39  1  0  0  0  0
  7 16  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8 22  1  0  0  0  0
  8 50  1  0  0  0  0
  8 51  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 18  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 40  1  0  0  0  0
 20 24  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 451👍, 0💬