Molecule FYI-1014573

A

Molecule Summary:

ID: FYI-1014573
Names:
InChIKey: RHAPJNVNWDBFQI-BQBZGAKWSA-N
SMILES: N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

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

Molecule ID: FYI-1014573 Edit

Molecule Structure InChIKey: RHAPJNVNWDBFQI-BQBZGAKWSA-N

Molecule Structure SMILES String: N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014573
FYIcenter.com

 18 18  0  0  1  0  0  0  0  0999 V2000
    2.6630    6.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    4.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    4.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    3.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1212    2.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438    4.3230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8764    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5138    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090    4.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1764    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8764    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0890    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3014    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5138    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10 18  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
  9 14  1  1  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-1014573-3D
FYIcenter.com

 35 35  0     1  0  0  0  0  0999 V2000
   -0.8782    1.2716    1.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700   -0.5662   -1.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4920    2.6688   -1.5162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8048    1.7043    0.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837    1.6581   -0.3721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2183   -0.8127    0.1373 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3307   -0.8527    0.4885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8702    0.5077    1.0976 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091   -1.4224    0.6319 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1933   -2.9195    0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286   -2.9913   -0.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0342   -1.7838   -0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5949    0.4789    0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340   -0.8942   -0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9736    0.8904    0.0197 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0176    2.3896   -0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717   -0.4039   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7969    1.0773    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1545   -1.1593    1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7361   -3.4729    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6979   -3.3474    1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5521   -2.8915   -1.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864   -3.9307   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3678   -1.3833   -1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9030   -2.0405    0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2666    0.3879   -0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3524   -1.1436    1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0531    2.7479   -0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762    2.9872    0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8914   -0.5050    1.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8235    0.7879    0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676   -0.6396   -1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3818   -0.9388    0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591    2.3948   -1.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9744    2.6660    0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  3 34  1  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 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  7 27  1  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  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
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  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
$$$$

✍: FYIcenter.com

2025-05-12, 2430👍, 0💬