Molecule FYI-1013785

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A

Molecule Summary:

ID: FYI-1013785
Names:
InChIKey: BQADPYAWODDMFE-UHFFFAOYSA-N
SMILES: CN(C)CCCC(C)(N)C(=O)O

Received at FYIcenter.com on: 2025-01-25

Molecule ID: FYI-1013785 Edit

Molecule Structure InChIKey: BQADPYAWODDMFE-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCCC(C)(N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013785
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.1876    0.0000 N   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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  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  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013785-3D
FYIcenter.com

 30 29  0     1  0  0  0  0  0999 V2000
   -2.0764   -1.3748   -1.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -1.5943    0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -0.0617    0.2980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481    1.0561    1.4336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332    0.6150    0.0382 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4270    0.9492   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305    0.2686    0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0738    0.6069   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108    1.3323   -0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0996   -0.8882    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2025   -1.4833   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424    0.5742   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746    2.0369   -0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3735    0.6598   -1.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471    0.5924    1.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597   -0.8119    0.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0706    0.3555   -1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2002    1.6959   -0.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8133    2.4215   -0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412    1.0718   -1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9192    1.0590   -0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219    0.5177    2.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8917    0.8829    1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057   -2.0146    0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0403   -1.9725    0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261   -1.6449   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    1.6246    0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6794    0.5315   -1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2547    0.0897    0.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475   -2.3403   -1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 30  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1027👍, 0💬