Molecule FYI-1001289

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A

Molecule Summary:

ID: FYI-1001289
SMILES: CC(C)Cc1ccc(C(C)C(=O)O)cc1.N=C(N)NCCC[C@H](N)C(=O)O

Received at FYIcenter.com on: 2022-05-02

Molecule ID: FYI-1001289 Edit

Molecule Structure SMILES String: CC(C)Cc1ccc(C(C)C(=O)O)cc1.N=C(N)NCCC[C@H](N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001289
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
    2.2449   10.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4881    8.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    8.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156    7.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    6.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    5.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    4.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449    3.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    1.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2174    4.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743    6.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3391    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1812    5.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3236    7.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6022    8.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9810    7.9934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1234    9.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 14  8  1  0  0  0  0
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 23 24  1  6  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001289-3D
FYIcenter.com

 59 58  0  0  1  0  0  0  0  0999 V2000
    0.9289    0.0280   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    0.1056   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8152    0.9764   -1.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1180    0.6558    1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898   -0.1953    2.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3242   -1.5250    2.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0615   -2.3178    3.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3649   -1.7934    4.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0244   -2.6798    5.8444 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7074   -2.1626    7.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -2.8598    6.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312   -3.0704    7.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436   -2.8550    4.9696 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9657   -0.4507    4.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279    0.3393    3.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    3.0362   -2.3564 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0360    2.1980   -2.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218    0.9885   -1.8477 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1957    2.4253   -3.0917 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4059    3.6048   -3.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8821    3.3887   -5.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1540    4.6154   -6.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6543    4.4510   -7.6675 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3032    3.2792   -8.2975 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8304   -0.9049   -0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    1.9909   -1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    0.5471   -2.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8997    1.0454   -1.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602    1.6779    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2025    0.7408    0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0855    3.3064   -9.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422    6.6980   -7.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  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
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  9 10  1  0  0  0  0
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 24 58  1  0  0  0  0
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 25 27  1  0  0  0  0
 27 59  1  0  0  0  0
M  END
$$$$

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2022-05-15, 146👍, 0💬