Molecule FYI-1012395

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A

Molecule Summary:

ID: FYI-1012395
Names:
InChIKey: DVUFTQLHHHJEMK-UHFFFAOYSA-N
SMILES: CC(NC(=O)C(N)CC(=O)O)C(=O)O

Received at FYIcenter.com on: 2024-09-02

Molecule ID: FYI-1012395 Edit

Molecule Structure InChIKey: DVUFTQLHHHJEMK-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1012395
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 O   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
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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
    6.0621    3.5000    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
    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 N   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
    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  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012395-3D
FYIcenter.com

 26 25  0     1  0  0  0  0  0999 V2000
    0.5732   -0.2210    1.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2454    1.0978   -0.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0077   -1.1814    0.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3996   -0.4169    0.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768   -1.1560   -1.3059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8798    0.1839   -0.2152 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554    2.5522    0.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.1775   -0.2849 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9876   -0.5770    0.3126 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7764    0.8262    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273    0.2984    0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052   -2.0227   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3261    0.0284   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977   -0.5894   -0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    1.0910   -1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324   -0.5389    1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4786    1.4935   -0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9453    0.9163    1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956    0.6429   -1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692   -2.0892   -1.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600   -2.4835    0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239   -2.6193    0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794    2.6443    1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0845    2.7899   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1311    1.4524   -1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971   -2.1042    0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

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2024-09-28, 1165👍, 0💬