Molecule FYI-1001895

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Molecule Summary:

ID: FYI-1001895
SMILES: NCCCCC(NC(=O)c1cccc(O)c1(O))C(=O)NC(CO)C(=O)O

Received at FYIcenter.com on: 2022-12-26

Molecule ID: FYI-1001895 Edit

Molecule Structure SMILES String: NCCCCC(NC(=O)c1cccc(O)c1(O))C(=O)NC(CO)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001895
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   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  1  0  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  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001895-3D
FYIcenter.com

 49 49  0  0  1  0  0  0  0  0999 V2000
    0.9430   -0.2856   -0.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3985   -0.2569   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258   -1.1583    0.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579   -1.1004    1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348   -1.9895    2.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731   -1.9835    2.1709 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0977   -0.6334    2.3622 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3449   -0.2325    1.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1364   -1.0194    1.4405 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7274    1.1866    2.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9697    1.6348    1.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3990    2.9486    1.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5966    3.8377    2.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714    3.3974    3.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5408    4.2197    3.8764 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9371    2.0866    2.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7191    1.7298    3.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711   -2.9144    3.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3399   -3.6926    3.9122 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4378   -2.9304    3.5180 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0442   -3.8654    4.4880 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2961   -5.2730    3.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1204   -5.9220    3.4401 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3455   -3.2730    5.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2381   -3.9133    5.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3759   -1.9186    4.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6239    0.3527   -0.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535    0.0607    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308    0.7762    0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001   -0.5856   -1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5965   -2.1918    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5181   -0.8389    1.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7643   -0.0605    1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632   -1.4107    0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6869   -3.0196    1.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6368   -1.6676    3.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9685   -2.3828    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5289    0.0476    2.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6152    0.9590    1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3652    3.2737    1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9439    4.8522    2.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9554    5.0998    3.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4068    2.5408    3.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120   -2.5614    2.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3511   -3.9412    5.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180   -5.9173    4.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0190   -5.2430    3.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3589   -5.3148    3.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5382   -1.5863    4.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  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 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
$$$$

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2023-01-11, 2224👍, 0💬