Molecule FYI-1001634

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Molecule Summary:

ID: FYI-1001634
SMILES: CC[C@H](C)[C@H]([NH3+])C([O-])=O

Received at FYIcenter.com on: 2022-10-12

Molecule ID: FYI-1001634 Edit

Molecule Structure SMILES String: CC[C@H](C)[C@H]([NH3+])C([O-])=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001634
FYIcenter.com

 22 21  0  0  1  0  0  0  0  0999 V2000
    3.2857   -0.0986    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.4307   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8011   -0.1823    0.1988 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7309    0.0139    1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8115   -1.6930   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013    0.4400   -0.5137 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3312    0.2439   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4113    1.8905   -0.2815 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4398    2.2948   -0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043    2.3009   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763    2.0721    0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -0.1638    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2327    0.3468    0.9803 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1407   -1.1628   -0.4934 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1711    0.1728    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3315   -1.1837    0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2051    0.3381    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459    1.5159   -0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062    0.1594   -1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681   -2.1364    0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1079   -2.1298    0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817   -1.8892   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001634-3D
FYIcenter.com

 22 21  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-21, 400👍, 0💬