Molecule FYI-1006570

A

Molecule Summary:

ID: FYI-1006570
Names:
InChIKey: LFGSAPKTJBGXSH-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(NC(=O)CCN)ccc1OCC(O)CNC(C)C

Received at FYIcenter.com on: 2024-01-03

Molecule ID: FYI-1006570 Edit

Molecule Structure InChIKey: LFGSAPKTJBGXSH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c1cc(NC(=O)CCN)ccc1OCC(O)CNC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006570
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 N   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
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   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
    7.2746    4.2000    0.0000 C   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
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 21 10  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006570-3D
FYIcenter.com

 51 51  0  0  1  0  0  0  0  0999 V2000
    1.2124   -1.1256    0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902   -0.2867   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051   -0.3528   -1.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    0.4894    0.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    0.2652    2.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459    0.7332    3.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623    0.4534    4.6866 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -0.2282    4.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678   -0.6822    4.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5418   -0.4585    6.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1808   -1.7837    6.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -2.0943    8.2460 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136    1.4585    3.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0345    1.7388    1.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3001    1.3179    0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312    1.8017   -0.4391 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9148    2.0377   -1.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4388    3.1072   -2.4843 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6073    4.3554   -1.8029 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7679    2.6831   -3.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6509    1.4136   -3.8567 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8954    0.9139   -4.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9765    0.6761   -3.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5112    0.8092    5.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2607   -1.7529    6.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784   -2.5942    6.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824   -1.4128    8.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377   -3.0007    8.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2112    1.8147    4.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9477    2.3198    1.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391    2.3545   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    1.1343   -2.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6867    3.2702   -3.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4983   -0.8067   -5.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492   -0.2631   -5.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  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 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
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 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$

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2024-01-15, 1927👍, 0💬