Molecule FYI-1014558

A

Molecule Summary:

ID: FYI-1014558
Names:
InChIKey: NZPGPJDWYLNOED-FMMQNQMLSA-N
SMILES: [20CH3][18C@@H]3[19CH2]N4[7CH2][C@H]5[12CH2][11CH2][10C]1=[9C]2[15C@H](C[17CH2]1)[14C@H]([22C](=O)O[23CH3])[13CH2][8C@@]26[1C](=O)[2C@@]34[3CH2][4CH2][5C@@]56[21CH3]

Received at FYIcenter.com on: 2025-04-28

Molecule ID: FYI-1014558 Edit

Molecule Structure InChIKey: NZPGPJDWYLNOED-FMMQNQMLSA-N

Molecule Structure SMILES String: [20CH3][18C@@H]3[19CH2]N4[7CH2][C@H]5[12CH2][11CH2][10C]1=[9C]2[15C@H](C[17CH2]1)[14C@H]([22C](=O)O[23CH3])[13CH2][8C@@]26[1C](=O)[2C@@]34[3CH2][4CH2][5C@@]56[21CH3]

Download SDF Download SVG Structure in 2D SDF:

FYI-1014558
FYIcenter.com

 27 32  0  0  1  0  0  0  0  0999 V2000
    5.6428    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611    0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5303    1.2856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5427    3.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9923    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4984    5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3134    6.2359    0.0000 C  -1  0  0  0  0  0  0  0  0  0  0  0
    4.9558    5.5236    0.0000 C  -2  0  0  0  0  0  0  0  0  0  0  0
    4.8189    4.2214    0.0000 C  -3  0  0  0  0  0  0  0  0  0  0  0
    3.5383    3.9492    0.0000 C   3  0  0  0  0  0  0  0  0  0  0  0
    2.8837    5.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7597    6.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015    2.6472    0.0000 C   2  0  0  0  0  0  0  0  0  0  0  0
    2.2677    1.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2677    0.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974    2.1148    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    5.4736    3.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0060    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365    0.8324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3080    1.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0776    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5494    3.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2430    4.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6723    5.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  6  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  2  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 14 15  1  1  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  1  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 23  2  1  0  0  0  0
 23  4  1  6  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26  6  1  0  0  0  0
 26 20  1  0  0  0  0
 26 27  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014558-3D
FYIcenter.com

 58 63  0  0  1  0  0  0  0  0999 V2000
    1.6228   -1.5129   -1.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9893   -1.3010   -1.7434 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1212   -2.1383   -2.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127   -1.9457   -1.2729 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3591   -1.3262   -1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0182   -0.7091   -0.0973 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3408    0.0919   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4050    1.5571   -0.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2359    2.4714   -0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909    2.2728   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449    3.5697   -0.1284 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4535    4.4774    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200    3.9491   -0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472    3.2997    0.9811 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6654    3.9261    2.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0945    3.3293    3.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5444    5.2851    2.1766 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2001    6.0114    3.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0708    1.7943    1.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2191    1.1297    0.2673 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5297    0.5246   -0.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458    1.1519   -1.9799 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0796   -0.9573   -0.7047 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8874   -1.4246    0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1161   -1.1021    1.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0378   -0.0010    0.9557 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7976    0.5488    2.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067   -0.6649   -0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5501   -2.4265   -0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8198   -1.4946   -1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -0.4708   -2.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8295   -3.1739   -2.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3896   -0.5923   -2.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 23 21  1  6  0  0  0
 23 24  1  0  0  0  0
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 27 58  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1149👍, 0💬