Molecule FYI-1001784

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A

Molecule Summary:

ID: FYI-1001784
SMILES: [H]N(C(=O)C(=O)[O-])c1sc2c(c1C(=O)[O-])C([H])([H])C([H])([H])C([H])([H])N2[H]

Received at FYIcenter.com on: 2022-12-07

Molecule ID: FYI-1001784 Edit

Molecule Structure SMILES String: [H]N(C(=O)C(=O)[O-])c1sc2c(c1C(=O)[O-])C([H])([H])C([H])([H])C([H])([H])N2[H]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001784
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.5719    0.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.3838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.3838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.1158    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1885    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    2.1158    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.0912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.0912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.6989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.0086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.7761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -1.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  8 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 10 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001784-3D
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.0899   -0.4451    0.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997   -0.1389    0.0671 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990    1.1672   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7326    1.8243   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    1.8848    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754    1.1665    1.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    3.0964   -0.0059 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0460   -1.0353   -0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5107   -1.0201   -2.3873 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4545   -2.3581   -2.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2274   -2.7970   -1.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   -2.0829   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5145   -2.4277    0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3639   -3.3782    0.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1208   -1.7755    1.8361 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1839   -3.9380   -1.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8107   -4.8174   -1.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728   -3.6863   -1.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3514   -4.2969   -3.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134   -5.2737   -3.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242   -3.5640   -3.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018   -4.2545   -4.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463   -4.4891   -5.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162   -5.0056   -3.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4226   -2.9281   -4.0207 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5814   -2.7477   -4.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-28, 1034👍, 0💬