Molecule FYI-1007463

A

Molecule Summary:

ID: FYI-1007463
Names:
InChIKey: BBTOAMVOTZXNJH-ZIYPLYSNSA-N
SMILES: C[C@@](O)(CC(C(N)=O)S(=O)(=O)c1ccccc1)[C@H](Cc2ccccc2)NC(=O)O[C@H]3CCOC3

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007463 Edit

Molecule Structure InChIKey: BBTOAMVOTZXNJH-ZIYPLYSNSA-N

Molecule Structure SMILES String: C[C@@](O)(CC(C(N)=O)S(=O)(=O)c1ccccc1)[C@H](Cc2ccccc2)NC(=O)O[C@H]3CCOC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007463
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    9.9293    8.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9293   10.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   10.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4352   10.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4352    8.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    7.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1880    7.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410    8.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    7.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    7.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8483   11.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6502   13.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   14.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0882    7.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 13  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
  9 20  1  1  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 27 28  1  0  0  0  0
 23 33  2  0  0  0  0
 23 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007463-3D
FYIcenter.com

 64 66  0  0  1  0  0  0  0  0999 V2000
    3.7325    3.8889   -4.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551    2.6839   -4.0078 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7336    3.2419   -2.7697 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452    2.1909   -4.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107    1.0623   -4.3840 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2742    1.3867   -3.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876    0.3107   -2.4053 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0728    2.5287   -2.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150    0.7850   -5.5901 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1295   -0.3294   -5.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273    2.0498   -5.9459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113    0.1865   -7.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7284   -1.1875   -7.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175   -1.6792   -8.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848   -0.8031   -9.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2774    0.5686   -9.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826    1.0687   -8.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178    1.6364   -3.7468 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0035    0.3810   -2.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4041    0.5600   -1.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308   -0.3400   -1.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975   -0.0705    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659    1.0718    0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355    1.8815    0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709    1.6010   -0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5276    0.1057   -4.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388   -0.6529   -2.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1463👍, 0💬