Molecule FYI-1015816

A

Molecule Summary:

ID: FYI-1015816
Names:
InChIKey: LILPFLYCSVCBQC-LKTVYLICSA-M
SMILES: CC(C)[C@H](NC(=O)N2CC(O)=Nc1ccccc12)C(=O)N[C@H](C(=O)[O-])[C@H](C)O

Received at FYIcenter.com on: 2025-10-15

Molecule ID: FYI-1015816 Edit

Molecule Structure InChIKey: LILPFLYCSVCBQC-LKTVYLICSA-M

Molecule Structure SMILES String: CC(C)[C@H](NC(=O)N2CC(O)=Nc1ccccc12)C(=O)N[C@H](C(=O)[O-])[C@H](C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015816
FYIcenter.com

 28 29  0  0  1  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    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
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  1  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
  4 15  1  1  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  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 21  1  0  0  0  0
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 23 18  1  0  0  0  0
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 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015816-3D
FYIcenter.com

 51 52  0     1  0  0  0  0  0999 V2000
    1.5740   -0.3255   -1.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4852    2.6329    0.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    1.2859    0.7647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8135   -2.1514   -2.8418 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1400    0.3650    0.8518 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1873   -0.9045   -1.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   -0.9334    0.5710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4089   -0.2084   -0.0617 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686   -0.0153    0.2724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8025   -0.5513   -1.5506 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061   -0.7701    1.0556 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6441   -2.0212    1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860   -0.3647   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733   -3.2044    0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947   -2.4264    2.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2815    0.4423   -0.6506 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1307    0.1424    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1964    1.9612   -0.8658 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5988    0.5197    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5590   -1.3428   -0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7678    0.3357   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7574   -1.3630   -1.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1624    2.4582   -1.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6598    1.4107    1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6704   -0.0823   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8309    2.1171    1.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9685    1.9430    0.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1129    0.0692    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506   -1.8049    2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -1.8582    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2081   -4.0671    1.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -2.9746   -0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048   -3.5216    0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0366    3.5356   -2.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9919    1.9512   -2.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2047    2.3084   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8087    1.5658    2.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8368    0.9112   -0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8498    2.8012    2.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8765    2.4927    1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982    3.5879    0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 18  1  0  0  0  0
  2 51  1  0  0  0  0
  3 17  2  0  0  0  0
  4 22  2  0  0  0  0
  5 25  1  0  0  0  0
  6 25  2  0  0  0  0
  7 11  1  0  0  0  0
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  7 31  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 39  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
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 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 16 38  1  0  0  0  0
 18 23  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 26  2  0  0  0  0
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 23 46  1  0  0  0  0
 24 27  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 388👍, 0💬