Molecule FYI-1007103

A

Molecule Summary:

ID: FYI-1007103
Names:
InChIKey: XZXJAYSOHUYDJF-SFHVURJKSA-N
SMILES: CC(C)[C@H](NC(=O)c2cccc(Oc1ccccc1)c2)C(=O)NCCS

Received at FYIcenter.com on: 2024-01-30

Molecule ID: FYI-1007103 Edit

Molecule Structure InChIKey: XZXJAYSOHUYDJF-SFHVURJKSA-N

Molecule Structure SMILES String: CC(C)[C@H](NC(=O)c2cccc(Oc1ccccc1)c2)C(=O)NCCS

Download SDF Download SVG Structure in 2D SDF:

FYI-1007103
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   15.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
  7 11  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 15  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 13  1  0  0  0  0
 26 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007103-3D
FYIcenter.com

 50 51  0  0  1  0  0  0  0  0999 V2000
    2.5358    0.6295   -3.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702    0.2640   -2.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8740    1.1418   -2.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2176    0.2870   -1.3711 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7674   -0.1589   -0.0516 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447   -1.4813    0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434   -2.4052   -0.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458   -1.7483    1.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431   -2.9218    2.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531   -3.2143    3.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1585   -2.3428    4.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -1.1431    3.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477   -0.2064    4.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0572    0.0269    5.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0402   -0.1519    6.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9077    0.0617    7.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2995    0.5220    8.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3732    0.7780    7.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2518    0.5302    6.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640   -0.8656    2.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469    1.6838   -1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5097    2.4249   -0.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8013    2.0361   -2.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4663    3.3283   -2.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7102    3.3638   -1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9896    2.2076   -1.7714 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968    0.5894   -4.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999   -0.0691   -4.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410    1.6437   -3.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979   -0.7673   -2.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    2.2012   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587    0.8584   -1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0719    1.0271   -2.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0120   -0.3981   -1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144    0.5612    0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2307   -3.6147    1.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3624   -4.1233    4.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7619   -2.6025    5.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -0.4755    5.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495   -0.1314    8.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990    0.6925    9.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3050    1.1663    7.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917    0.7275    5.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9063    0.0271    1.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1432    1.3372   -2.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526    4.0806   -1.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7188    3.5772   -3.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4615    3.1051   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1371    4.3717   -1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2736    1.0901   -1.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  2  1  0  0  0  0
  4 34  1  6  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  2  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END
$$$$

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2024-02-11, 208👍, 0💬