Molecule FYI-1004379

A

Molecule Summary:

ID: FYI-1004379
Names:
InChIKey: NYONDTQBDVCPLH-MWKOEUQPSA-N
SMILES: CC8(S(=O)(=O)NC(=O)[C@@]15C[C@H]1/C=C\\CCCCC[C@@H]7NC(=O)O[C@@H]2CCC[C@H]2CCCCCc4nc3ccccc3nc4O[C@@H]6C[C@@H](C(=O)N5)N(C6)C7=O)CC8

Received at FYIcenter.com on: 2023-09-04

Molecule ID: FYI-1004379 Edit

Molecule Structure InChIKey: NYONDTQBDVCPLH-MWKOEUQPSA-N

Molecule Structure SMILES String: CC8(S(=O)(=O)NC(=O)[C@@]15C[C@H]1/C=C\CCCCC[C@@H]7NC(=O)O[C@@H]2CCC[C@H]2CCCCCc4nc3ccccc3nc4O[C@@H]6C[C@@H](C(=O)N5)N(C6)C7=O)CC8

Download SDF Download SVG Structure in 2D SDF:

FYI-1004379
FYIcenter.com

 56 63  0  0  1  0  0  0  0  0999 V2000
   12.3177    2.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9559    1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6548    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7453    1.9095    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474    1.9095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0463    0.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7453    3.3074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9559    4.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1665    3.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9559    5.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2853    4.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9947    6.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6263   11.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0255   10.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2038    9.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7940   10.1456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5644   12.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2768   11.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1435   11.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   12.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1654   13.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8318   12.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183   11.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7704   10.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479    9.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2773    6.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6027    6.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800    5.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8322    4.1490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1097    2.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0618    1.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391    0.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6645    0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7124    0.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4349    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4827    3.2594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2053    4.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2531    5.5547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8743    5.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2038    4.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0255    5.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2038    6.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8743    6.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9132    8.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5153    8.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2361    5.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042    3.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6263    4.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  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
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  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  6  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
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 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  1  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  6  0  0  0
 30 26  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
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
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 37 36  2  0  0  0  0
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 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
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 52 21  1  0  0  0  0
 53 52  2  0  0  0  0
 54 49  1  0  0  0  0
 55 54  2  0  0  0  0
 56 54  1  0  0  0  0
 56 11  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-09-16, 941👍, 0💬