Molecule FYI-1011278

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Molecule Summary:

ID: FYI-1011278
Names: LEUCINE;
InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES: CC(C)CC(C(=O)O)N

Received at FYIcenter.com on: 2024-07-30

Molecule ID: FYI-1011278 Edit

Molecule Names: LEUCINE;

Molecule Structure InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N

Molecule Structure SMILES String: CC(C)CC(C(=O)O)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1011278
FYIcenter.com

 22 21  0     1  0  0  0  0  0999 V2000
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  2  0  0  0  0
  6  3  1  6  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  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
  8 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011278-3D
FYIcenter.com

 22 21  0     1  0  0  0  0  0999 V2000
    1.1033   -1.2860    1.2673 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537   -1.0509   -0.9426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313    1.7545    0.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8021    0.1905   -0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    1.0793   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249    0.8408    0.2948 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3423    0.3183    1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4509   -1.2719   -0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464   -0.5747    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5824    0.5084   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    0.9573   -1.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8798    2.1273   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3267    0.9880    1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488   -0.0803    1.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5447    1.3661    1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828   -0.2347    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8590   -1.3871   -1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9914   -1.7963    0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3866   -1.8167   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154    2.7159    0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986    1.6785   -0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347   -2.2013    1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  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
  8 19  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1589👍, 0💬