Molecule FYI-1015791

A

Molecule Summary:

ID: FYI-1015791
Names:
InChIKey: NPALYBYZIAGBTE-LBPRGKRZSA-N
SMILES: N[C@@H](Cc3ccc2[nH]c1ccccc1c(=O)c2c3)C(=O)O

Received at FYIcenter.com on: 2025-10-13

Molecule ID: FYI-1015791 Edit

Molecule Structure InChIKey: NPALYBYZIAGBTE-LBPRGKRZSA-N

Molecule Structure SMILES String: N[C@@H](Cc3ccc2[nH]c1ccccc1c(=O)c2c3)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015791
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
 18  4  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015791-3D
FYIcenter.com

 35 37  0     1  0  0  0  0  0999 V2000
    0.9807   -2.0670    0.8651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0782   -1.5226   -1.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7614   -2.1183   -0.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    1.6287   -0.3554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6415    0.4809   -0.0796 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    0.1444    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464    0.9501    0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3826    0.7118    0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501    1.4118   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0235   -0.0885    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2201    0.2425   -0.3201 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7374   -0.6593    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0842    0.6358   -0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3188   -0.9498    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305    2.2124    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883    2.4432   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068   -1.6613    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188    0.9115   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0660   -1.2478   -0.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0328   -1.3704   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3883   -0.0879   -0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593   -0.0132    1.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7992    1.6460    1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3533   -1.0693    1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9461    0.7827   -1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802    2.5515   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2435    3.0270    0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1186    3.4331   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501   -2.6661    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7136    1.9057   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8019    1.4795    0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9221    0.0402    0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7910   -2.1444    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226    0.1341   -0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9930   -2.4856   -1.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 19  1  0  0  0  0
  2 35  1  0  0  0  0
  3 19  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  5 11  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 19  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  1  0  0  0  0
 18 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$

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2025-10-14, 418👍, 0💬