Molecule FYI-1014574

A

Molecule Summary:

ID: FYI-1014574
Names:
InChIKey: BGWKULMLUIUPKY-BQBZGAKWSA-N
SMILES: O=C(O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014574 Edit

Molecule Structure InChIKey: BGWKULMLUIUPKY-BQBZGAKWSA-N

Molecule Structure SMILES String: O=C(O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014574
FYIcenter.com

 18 18  0  0  1  0  0  0  0  0999 V2000
   10.9784    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 18  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
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  6  0  0  0
 11 18  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014574-3D
FYIcenter.com

 35 35  0     1  0  0  0  0  0999 V2000
    2.3691    1.2877    1.3461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128    2.1238   -1.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396   -1.2706   -0.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3485    0.4499   -0.8469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7439   -1.2432   -0.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738    0.4555    0.0667 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8465    0.3670   -0.1561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777   -0.0557    1.0055 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1941    0.0960   -0.5445 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1687   -1.4286   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5036   -1.8624   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3865   -0.6483   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156    0.6590    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3633    0.7768    0.5085 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8288    2.1509    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4224   -0.2951    0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7128   -0.9490    0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7082   -0.6135   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1158    0.5319   -1.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1084   -1.7540   -1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -1.8937   -0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -2.0824    1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016   -2.7553   -0.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2490   -0.6470    0.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7516   -0.5846   -1.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3644    0.5159    1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631    0.8207    1.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589   -0.1351   -1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0440    2.8977    0.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251    2.4943    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6363    0.7672    1.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3636   -1.9744    0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.8602    1.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892    1.5541   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0114    0.6475   -1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 15  1  0  0  0  0
  2 34  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  1  0  0  0  0
  4 35  1  0  0  0  0
  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 28  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1396👍, 0💬