Molecule FYI-1001554

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A

Molecule Summary:

ID: FYI-1001554
SMILES: CC(=O)N[C@@H](CCCCN)C(=O)O

Received at FYIcenter.com on: 2022-09-06

Molecule ID: FYI-1001554 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001554
FYIcenter.com

 13 12  0  0  1  0  0  0  0  0999 V2000
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001554-3D
FYIcenter.com

 29 28  0  0  1  0  0  0  0  0999 V2000
    5.0006    3.6169    3.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920    2.8699    2.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    3.2084    1.7544 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1049    1.7640    1.9057 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6746    0.8815    0.8240 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2470    1.3547   -0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7834    0.4738   -1.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3371    0.9182   -3.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776   -0.0133   -4.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3188   -1.3852   -3.9352 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1615   -0.5281    1.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1722   -0.7370    1.8616 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3811   -1.5294    0.7424 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6930    4.6656    3.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0930    3.5796    3.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    3.1738    4.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9293    1.4804    2.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5781    0.8824    0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3442    1.3603   -0.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9371    2.3910   -0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    0.4676   -1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1108   -0.5526   -1.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    0.9456   -2.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9987    1.9375   -3.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2718    0.3416   -5.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7842    0.0001   -4.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3381   -1.4231   -3.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0191   -1.9767   -4.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199   -1.2444    0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  6  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  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 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 2008👍, 0💬