Molecule FYI-1001543

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Molecule Summary:

ID: FYI-1001543
SMILES: C[C@@H](N)C1SCCN1C(=O)Cc1[nH][n][n][n]1

Received at FYIcenter.com on: 2022-08-31

Molecule ID: FYI-1001543 Edit

Molecule Structure SMILES String: C[C@@H](N)C1SCCN1C(=O)Cc1[nH][n][n][n]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001543
FYIcenter.com

 16 17  0  0  1  0  0  0  0  0999 V2000
    6.3828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7546    0.5041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1320    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0689    3.3466    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3689    4.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9994    4.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.7756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.7450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  6  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001543-3D
FYIcenter.com

 30 31  0  0  1  0  0  0  0  0999 V2000
    1.0058   -0.2552   -0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2197    0.1252    0.0395 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7905    1.0971    1.0660 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9617   -1.1197    0.6494 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6108   -2.2236   -0.6523 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0867   -1.2071   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3260   -0.5234    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858   -0.7244    1.3441 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008   -0.3811    2.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3498    0.1167    3.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373   -0.7204    3.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3408   -0.2590    5.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    0.3593    5.4775 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3257    0.6438    6.7778 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183    0.1995    7.0973 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4947   -0.3635    6.0086 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548    0.6367   -1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.7615   -0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2809   -0.9158   -1.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234    0.6684   -0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    0.7440    1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687    1.9498    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959   -1.6800    1.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847   -0.4663   -1.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9430   -1.8092   -1.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4629    0.5559    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333   -0.9062    0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096   -1.8089    3.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2169   -0.2672    3.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3190    0.5976    4.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  6  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 254👍, 0💬