Molecule FYI-1004191

A

Molecule Summary:

ID: FYI-1004191
Names:
InChIKey: PNBHUUFKJPYNDI-BYRXKDITSA-N
SMILES: CC(O)CN(O)C[C@@H](N)C[C@H](N)C(=O)O

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004191 Edit

Molecule Structure InChIKey: PNBHUUFKJPYNDI-BYRXKDITSA-N

Molecule Structure SMILES String: CC(O)CN(O)C[C@@H](N)C[C@H](N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004191
FYIcenter.com

 15 14  0  0  1  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 O   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
    1.2124    2.1000    0.0000 C   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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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
    7.2747    0.0000    0.0000 O   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
    4.8497    1.4000    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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  5  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 13 15  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004191-3D
FYIcenter.com

 34 33  0  0  1  0  0  0  0  0999 V2000
    2.8433   -0.4773    1.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3632   -0.3961    1.7800 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7813   -0.7929    3.0951 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9959   -1.3055    0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4802   -1.2729    0.7074 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8930   -1.7991    2.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9598   -2.2257   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   -2.3502   -0.5097 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1794   -2.7365    0.7467 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9011   -3.3905   -1.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4371   -3.1080   -3.0231 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9608   -3.0861   -3.1333 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9578   -4.1904   -3.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2254   -4.8983   -4.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2991   -4.2818   -4.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057    0.1457    2.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4973   -1.5008    1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4567   -0.1430    0.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6835    0.6369    1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6243   -1.7532    3.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6356   -0.9734   -0.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -2.3369    0.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7340   -1.0207    2.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387   -1.8437   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5427   -3.2253   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8932   -1.3664   -0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7930   -3.6389    1.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8208   -2.0915    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5688   -4.3909   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0008   -3.4389   -1.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8164   -2.1385   -3.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6151   -4.0334   -2.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7194   -2.9422   -4.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7881   -3.6558   -3.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  6  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 10  1  0  0  0  0
 11 31  1  6  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 2041👍, 0💬