Molecule FYI-1016771

A

Molecule Summary:

ID: FYI-1016771
Names:
InChIKey: MMCQPNLJNPSDTE-FQEVSTJZSA-N
SMILES: CC(=O)NC[C@H]4CN(c3ccc(N2CCN(C(=O)CCC(=O)OCCn1c(C)ncc1N(=O)=O)CC2)c(F)c3)C(=O)O4

Received at FYIcenter.com on: 2026-03-09

Molecule ID: FYI-1016771 Edit

Molecule Structure InChIKey: MMCQPNLJNPSDTE-FQEVSTJZSA-N

Molecule Structure SMILES String: CC(=O)NC[C@H]4CN(c3ccc(N2CCN(C(=O)CCC(=O)OCCn1c(C)ncc1N(=O)=O)CC2)c(F)c3)C(=O)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016771
FYIcenter.com

 42 45  0  0  1  0  0  0  0  0999 V2000
   17.4508    9.7203    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.4508    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2383    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0259    8.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0259    9.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8134   10.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    9.7203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886   10.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1761    9.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9637   10.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513    9.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5388   10.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    9.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140   10.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015    9.7203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226   10.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315   11.6591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719   12.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6858    9.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3858    8.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    8.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7956    7.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513    8.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886   11.8203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8134    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2383    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4508    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6632    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8756    5.5203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0220    4.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3914    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9609    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3531    2.4115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9226    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3149    0.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0914    5.0493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1547    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4457    7.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6632    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  2  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
 24 11  2  0  0  0  0
 25  8  2  0  0  0  0
 26  7  1  0  0  0  0
 27 26  1  0  0  0  0
 27  4  1  0  0  0  0
 28  3  1  0  0  0  0
 29 28  2  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
 33 32  1  0  0  0  0
 33 34  1  1  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 36  2  0  0  0  0
 39 33  1  0  0  0  0
 40 39  1  0  0  0  0
 40 31  1  0  0  0  0
 41 40  2  0  0  0  0
 42 30  2  0  0  0  0
 42  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016771-3D
FYIcenter.com

 74 77  0  0  1  0  0  0  0  0999 V2000
    9.1159   -1.6593   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271   -1.7796   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865   -2.7180    0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0688   -0.7398   -0.9509 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6323   -0.6846   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2162   -1.4006   -2.5137 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7163   -1.3794   -2.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169   -1.1100   -4.1562 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4179   -1.2174   -4.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422   -1.2483   -6.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654   -1.3748   -7.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068   -1.4498   -6.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1388   -1.5335   -7.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952   -2.2059   -8.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7766   -1.2620   -9.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0318   -0.6421   -9.1437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1810   -0.6959   -9.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2262   -1.2608  -11.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4049   -0.0181   -9.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6333   -0.1265  -10.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8097    0.5812   -9.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7550    1.5794   -8.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9575    0.0159  -10.0388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8898    0.9591  -10.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5468    1.1187  -12.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4234    2.0319  -12.7549 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5829    1.6707  -13.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1267    0.2894  -13.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1667    2.7321  -13.9491 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3790    3.8029  -13.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2951    3.3931  -12.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2512    4.2088  -12.3751 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3691    3.6642  -11.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3137    5.4158  -12.6356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9283    0.0267   -7.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019   -0.9294   -6.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.4094   -5.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -1.4911   -4.3495 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1768   -1.3151   -4.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8276   -0.6399   -4.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1095   -0.1784   -5.7243 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7707   -0.7037   -3.6363 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4628   -2.4881    0.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3557   -0.7203    0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6266   -1.7076   -1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6684   -0.0737   -1.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816    0.3801   -1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1033   -1.1214   -0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067   -2.4252   -2.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2144   -0.5819   -2.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -2.3440   -2.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3742   -1.1955   -6.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3668   -1.3708   -8.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457   -3.0839   -8.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2233   -2.5866   -8.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9136   -1.8036  -10.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0692   -0.4443   -9.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1668    1.0401   -9.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6250   -0.4840   -8.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8874   -1.1793  -10.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4570    0.3378  -11.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8763    1.9152  -10.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8949    0.5387  -10.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5785    0.1432  -12.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5085    1.4301  -12.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5318   -0.4699  -13.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1921    0.0115  -14.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1363    0.2554  -13.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6367    4.8075  -13.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8789    0.4422   -7.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2381    0.8678   -7.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -1.7266   -6.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3007   -0.3406   -5.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0645   -1.2909   -3.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  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 46  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6  5  1  0  0  0  0
  6 49  1  1  0  0  0
  7  8  1  0  0  0  0
  7 50  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  2  0  0  0  0
 10 11  2  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  2  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  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 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  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
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 26  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 69  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 35 36  1  0  0  0  0
 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 74  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 672👍, 0💬