Molecule FYI-1002618

A

Molecule Summary:

ID: FYI-1002618
Names:
InChIKey: JHTVXPSAXNTOJB-CJIHJOFQSA-N
SMILES: Cc5ccc(N2C(=O)CC[C@H](C(=O)N1CCCC1)C2[C@H]3O[C@H]3c4ccccc4)cc5

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002618 Edit

Molecule Structure InChIKey: JHTVXPSAXNTOJB-CJIHJOFQSA-N

Molecule Structure SMILES String: Cc5ccc(N2C(=O)CC[C@H](C(=O)N1CCCC1)C2[C@H]3O[C@H]3c4ccccc4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002618
FYIcenter.com

 30 34  0  0  1  0  0  0  0  0999 V2000
    7.4623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2499    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    9.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9048   10.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374   11.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2499    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  1  0  0  0
 22 21  1  0  0  0  0
 22 20  1  0  0  0  0
 22 23  1  1  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29  5  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002618-3D
FYIcenter.com

 58 62  0  0  1  0  0  0  0  0999 V2000
    1.0521   -0.4053    6.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645   -0.8676    5.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448    0.0449    4.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305   -0.3980    3.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131   -1.7630    3.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8881   -2.2390    1.7687 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949   -2.9655    1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208   -3.4373    1.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311   -3.2242   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906   -2.1691   -1.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9233   -2.0994   -0.5489 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7312   -1.1455   -1.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4978    0.0633   -1.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119   -1.6774   -2.2222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0742   -3.0673   -2.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5935   -3.0735   -3.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3495   -1.7536   -3.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6278   -0.8247   -2.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -1.6321    0.9310 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3448   -2.0239    1.4731 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6023   -1.6954    2.8389 O   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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  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5 29  2  0  0  0  0
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  7  8  2  0  0  0  0
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 23 28  2  0  0  0  0
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 30 58  1  0  0  0  0
M  END
$$$$

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2023-04-17, 1062👍, 0💬