Molecule FYI-1015813

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A

Molecule Summary:

ID: FYI-1015813
Names:
InChIKey: MSIDVTZNYRPGGQ-UHFFFAOYSA-N
SMILES: NC(=O)c2c1CCCc1sc2NC(=O)C(=O)NCCO

Received at FYIcenter.com on: 2025-10-15

Molecule ID: FYI-1015813 Edit

Molecule Structure InChIKey: MSIDVTZNYRPGGQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c2c1CCCc1sc2NC(=O)C(=O)NCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015813
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.5812    9.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3023    9.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    7.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    6.4307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468   10.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    8.8965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    7.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  4  1  0  0  0  0
 20  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015813-3D
FYIcenter.com

 35 36  0     0  0  0  0  0  0999 V2000
    1.5185    1.8622   -0.1143 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029   -2.4318    0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488    2.7046    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5025    1.7160    1.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1969   -2.3484   -0.6132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469    0.3877    0.2099 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -3.0624    0.3708 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3756    0.4000   -0.7095 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2783   -0.8838   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1600    0.2827   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297   -0.2684    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3788    1.6067   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0006    1.0889   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6036   -0.7212    0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7178    0.3438    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903   -2.0873    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4437    1.5294    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9035    1.2196    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543   -0.0214   -0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9887   -1.3169   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3606   -1.7319   -0.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6057   -1.1712    0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1597    0.2926   -0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2845    0.1578   -1.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    2.3063   -1.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7280    2.0772    0.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102   -0.5081    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800   -2.8918    0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232   -4.0374    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9742   -0.1550   -1.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3977    0.7701   -0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338    0.0690   -1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7121   -1.2156    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0410   -1.6096   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760   -3.1599   -0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  2  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5 20  1  0  0  0  0
  5 35  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 27  1  0  0  0  0
  7 16  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2025-10-24, 441👍, 0💬