Molecule FYI-1011372

A

Molecule Summary:

ID: FYI-1011372
Names:
InChIKey: SGPHZZAHLOHEDP-QYNIQEEDSA-N
SMILES: [NH3+][C@@H](CC(=O)[C@@H]2[C@@H]1CCC[C@H]12)C(=O)[O-]

Received at FYIcenter.com on: 2024-08-06

Molecule ID: FYI-1011372 Edit

Molecule Structure InChIKey: SGPHZZAHLOHEDP-QYNIQEEDSA-N

Molecule Structure SMILES String: [NH3+][C@@H](CC(=O)[C@@H]2[C@@H]1CCC[C@H]12)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011372
FYIcenter.com

 14 15  0  0  1  0  0  0  0  0999 V2000
    8.9779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6990    4.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8316    2.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   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
    2.4249    0.0000    0.0000 N   0  3  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  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  6  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011372-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    3.4178    0.9155    0.9770 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7238    1.5077    2.1938 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0397    2.8232    1.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0388    2.6271    0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205    2.2374   -0.3548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981    2.8629    1.0642 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4059    1.8973    0.4500 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2929    1.5540   -0.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4544    2.5602   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7928    3.7920    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496    3.4159    0.1023 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7437    0.4547    2.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8738    0.8654    3.5766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9996   -0.6876    2.2848 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2189   -0.1064    1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4241    1.0596    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9190    1.1537    0.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5179    1.6645    2.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7718    3.5650    1.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513    3.2474    2.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797    3.1384    2.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9438    1.4741    1.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6546    0.5223   -0.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7826    1.6836   -1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9266    2.7898   -1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2247    2.1585    0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9877    4.6965   -0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1668    3.9494    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9061    3.7280   -0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  1  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  1  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  1  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1141👍, 0💬