Molecule FYI-1002104

A

Molecule Summary:

ID: FYI-1002104
Names: AMOXICILLIN;
InChIKey: LSQZJLSUYDQPKJ-NJBDSQKTSA-N
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C

Received at FYIcenter.com on: 2023-01-30

Molecule ID: FYI-1002104 Edit

Molecule Names: AMOXICILLIN;

Molecule Structure InChIKey: LSQZJLSUYDQPKJ-NJBDSQKTSA-N

Molecule Structure SMILES String: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002104
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
   10.6404    0.8209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9754   -1.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2803   -2.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9276   -1.9561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7482    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6894   -0.4881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9754    1.2246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5641    2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6894    0.5119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2282    0.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6404   -0.7971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6811    0.5160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6811   -0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0372    0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0372   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9494   -1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090    0.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3033    1.6763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3369    1.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312    2.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1096    0.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6648    1.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5581    1.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2020   -1.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4017    0.0981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6728    1.1012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6728   -1.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -0.9403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4017   -0.0743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1371    1.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8658    2.1156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4719   -3.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1266    3.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1633    2.8009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5136    0.0148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929    2.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9479   -0.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273    2.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 14  2  0  0  0  0
  3 17  1  0  0  0  0
  3 37  1  0  0  0  0
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 13  8  1  1  0  0  0
  8 18  1  0  0  0  0
  8 35  1  0  0  0  0
 19  9  1  1  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 13  1  0  0  0  0
 10 26  1  6  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  6  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
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 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 25  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002104-3D
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
    0.8127   -0.5305    1.0470 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5412    1.9384   -2.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164   -1.8059   -0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3753   -0.4801    1.6331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1798    2.4440    1.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1594   -3.4891    0.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7863    0.7498   -0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496    1.9689   -0.4201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5725    2.8271    0.2755 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8063    1.0059    0.9417 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8293   -1.4420   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -0.6204   -0.4284 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2349    2.1188    0.0479 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2954    1.6814   -0.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0775   -2.8717    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045   -1.4983   -1.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478   -0.9379    0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582    2.1473    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    1.9144   -0.3056 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0064    0.4636   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874   -0.2708   -1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2022   -0.0926    1.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4766   -0.6650   -1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5603   -2.0263   -2.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0658    0.4817    1.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2526   -3.7236    1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
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  8 18  1  0  0  0  0
  8 35  1  0  0  0  0
  9 19  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
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 12 17  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
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 24 43  1  0  0  0  0
M  END
$$$$

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2023-09-10, 403👍, 0💬