Molecule FYI-1001637

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A

Molecule Summary:

ID: FYI-1001637
SMILES: CC(=CCC/C(=C/CSC[C@H](NC(=O)C)C(=O)O)/C)C

Received at FYIcenter.com on: 2022-10-13

Molecule ID: FYI-1001637 Edit

Molecule Structure SMILES String: CC(=CCC/C(=C/CSC[C@H](NC(=O)C)C(=O)O)/C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001637
FYIcenter.com

 20 19  0  0  1  0  0  0  0  0999 V2000
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  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  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19  6  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001637-3D
FYIcenter.com

 45 44  0  0  1  0  0  0  0  0999 V2000
   -0.1184  -13.0173   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193  -13.1270   -1.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1945  -12.2581   -2.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8576  -11.0703   -1.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6947  -10.1984   -2.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3615   -8.9909   -2.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2884   -8.7201   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690   -7.5369   -0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7730   -7.0228    1.3006 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784   -6.5591    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1419   -6.1272    1.2752 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4999   -4.9797    2.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -4.7868    3.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091   -5.5568    3.7932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -3.5815    4.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0788   -5.7456    0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -5.1827   -0.6516 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611   -6.0069    1.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1473   -8.1150   -3.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101  -14.2998   -2.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912  -12.1545    0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9611  -12.9228   -0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719  -13.9111    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3617  -12.4141   -3.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0752  -10.4428   -1.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5114  -11.4422   -0.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750  -10.8169   -3.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454   -9.8388   -3.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7529   -9.4053   -0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8265   -7.8254    0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0383   -6.6802   -0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5539   -5.7481   -0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432   -7.4138   -0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1359   -6.9767    1.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0603   -4.2448    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024   -2.7807    3.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168   -3.2080    4.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450   -3.8540    4.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -6.2946    1.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1386   -8.5128   -4.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279   -7.1048   -3.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1944   -8.0590   -2.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050  -14.9030   -1.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8775  -13.9602   -3.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5590  -14.9516   -2.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  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
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 10  1  0  0  0  0
 11 34  1  1  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-21, 2604👍, 0💬