Molecule FYI-1001048

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A

Molecule Summary:

ID: FYI-1001048
SMILES: CN(C)C(=O)CNC(=O)N1CCN(CC1)C(=O)OC(C)(C)C

Received at FYIcenter.com on: 2021-11-09

Molecule ID: FYI-1001048 Edit

Molecule Structure SMILES String: CN(C)C(=O)CNC(=O)N1CCN(CC1)C(=O)OC(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001048
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001048-3D
FYIcenter.com

 48 48  0  0  0  0  0  0  0  0999 V2000
   12.1021   -2.2416    2.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8160   -1.7518    3.4431 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5916   -1.7338    4.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8157   -1.4899    2.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0351   -1.6251    1.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3799   -1.1509    3.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3355   -1.4326    2.0507 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7359   -2.5999    1.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7955   -2.5099    0.8781 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740   -3.8059    2.1445 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4405   -5.0441    1.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1698   -5.8998    3.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3008   -5.9044    4.0626 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9327   -4.6332    4.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3464   -4.1067    2.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8661   -6.9700    4.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8363   -6.8426    5.4452 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2510   -8.1497    4.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8118   -9.3319    5.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7114   -9.2499    6.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541  -10.5059    4.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2551   -9.5752    4.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8110   -2.3807    3.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091   -1.5054    2.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9752   -3.1946    2.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5208   -1.9121    5.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680   -2.5033    5.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1934   -0.7537    5.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3516   -0.0907    3.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1091   -1.7030    3.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9028   -0.6289    1.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1012   -5.6102    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5082   -4.8552    1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8943   -6.9197    2.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336   -5.4485    3.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230   -4.6914    4.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2210   -3.9712    4.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9734   -4.7914    2.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9691   -3.2858    3.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -9.0900    6.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2846   -8.4177    7.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0870  -10.1634    7.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9041  -10.3786    4.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3128  -11.4561    5.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9727  -10.5719    3.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9430   -8.7853    4.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3030   -9.6079    3.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6469  -10.5147    5.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  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
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  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 15  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 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

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2022-03-29, 2005👍, 0💬