Molecule FYI-1009219

A

Molecule Summary:

ID: FYI-1009219
Names:
InChIKey: PBHTZNRPDORMPJ-AWEZNQCLSA-N
SMILES: Cc2cc(=O)oc3cc(NC(=O)CN1CCCC[C@H]1C(N)=O)ccc23

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009219 Edit

Molecule Structure InChIKey: PBHTZNRPDORMPJ-AWEZNQCLSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(NC(=O)CN1CCCC[C@H]1C(N)=O)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009219
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
   10.9118    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009219-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
   -0.1965   -3.0457    0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4773   -1.5925    0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7358   -1.1431    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821    0.2675    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2529    0.6163    0.0127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0303    1.1545    0.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3024    0.7203    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2728    1.7198    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6189    1.3973    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    2.3685    0.1249 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4812    3.7486    0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397    4.3455    0.4376 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    4.5310   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7549    3.7430   -0.8337 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3645    3.6636   -2.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542    2.6559   -2.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7363    2.9622   -2.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0775    3.1715   -1.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1552    4.2090   -0.6603 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4579    5.6426   -1.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7258    6.0953   -0.9235 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6707    6.3786   -1.7599 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725    0.0525    0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -0.9491    0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -0.6198    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3304   -3.1906    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036   -3.4654   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -1.8026    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404    2.7375   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6011    2.0609    0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1862    4.7202    0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539    5.4908   -0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4037    4.6355   -2.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290    3.3184   -2.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0081    2.6450   -4.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423    1.6503   -2.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9981    3.8613   -3.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3367    2.1404   -3.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1304    3.4579   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9679    2.2155   -0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3823    4.2188    0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3635    5.6319   -0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9431    7.0398   -1.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154   -0.2415    0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009   -1.9760    0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 1307👍, 0💬