Molecule FYI-1011374

A

Molecule Summary:

ID: FYI-1011374
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-1011374 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-1011374
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-1011374-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    1.9011    2.3343    3.4186 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8485    3.5161    2.4767 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9358    3.0540    1.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7868    2.1395    0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5927    1.1132    1.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326    2.5823   -0.4055 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5135    2.8247   -0.0150 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4950    2.1776    0.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    1.5987   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6520    1.5817   -1.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    1.6909   -1.0242 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5523    4.3440    2.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0799    3.9101    3.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176    5.2540    1.8880 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9557    1.9063    3.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6031    1.6153    3.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9011    2.6853    4.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    4.1332    2.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    2.4933    0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533    3.9131    0.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116    3.2964   -1.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035    3.7845   -0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797    2.8827    1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0465    1.3742    1.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3605    2.2321   -0.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031    0.5964    0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422    0.6592   -2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    2.4229   -2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709    0.6590   -0.7452 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  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  6  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  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1265👍, 0💬