Molecule FYI-1001329

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A

Molecule Summary:

ID: FYI-1001329
SMILES: C[C@@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C

Received at FYIcenter.com on: 2022-05-18

Molecule ID: FYI-1001329 Edit

Molecule Structure SMILES String: C[C@@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001329
FYIcenter.com

 22 23  0  0  1  0  0  0  0  0999 V2000
    2.4428    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    4.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    4.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    4.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    4.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.2311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373    6.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    2.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    2.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    5.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    6.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    7.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    8.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    7.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    6.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    4.9363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    6.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2311    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  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
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
  2 20  1  6  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001329-3D
FYIcenter.com

 46 47  0  0  1  0  0  0  0  0999 V2000
    3.2634    0.9870    0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4908    0.0886   -0.2508 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7550   -1.4356    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769   -2.1917    1.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1206   -1.4245    2.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327   -1.0073    3.6526 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3323   -1.2049    2.5354 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306   -2.2865    1.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1221   -3.5037    1.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787   -3.5479    1.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194   -2.3720    1.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3536   -1.1601    1.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453   -1.1282    1.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0324   -3.6403    1.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9079   -4.1765    2.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4469   -5.4631    2.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1080   -6.2629    0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2510   -5.7628    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338   -4.4658    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742    0.4981   -0.3682 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8637    1.9281   -0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3039   -0.2676   -1.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2531    0.5831    0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7161    1.1273    1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4428    1.9776    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.2697   -1.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402   -1.5627   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3193   -1.9850   -0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263   -1.0000    3.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9485   -0.4438    4.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6316   -4.4627    1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892   -4.5063    1.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1047   -2.4010    1.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9074   -0.2267    1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146   -0.1502    1.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2158   -3.6073    3.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360   -5.8380    2.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5086   -7.2689    0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9763   -6.3824   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0541   -4.1245   -0.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285    2.5492    0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060    2.1639   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363    2.2430   -1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204   -1.3423   -1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -0.0992   -2.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550    0.0146   -1.2983 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 20  1  0  0  0  0
  2 26  1  6  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  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
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
$$$$

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2022-07-01, 491👍, 0💬