Molecule FYI-1007945

A

Molecule Summary:

ID: FYI-1007945
Names:
InChIKey: BZXINUJLSNEDHN-UHFFFAOYSA-N
SMILES: O=CCCC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007945 Edit

Molecule Structure InChIKey: BZXINUJLSNEDHN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=CCCC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007945
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    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  5  2  0  0  0  0
  8  2  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 18  2  0  0  0  0
 15 13  2  0  0  0  0
 16 10  2  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007945-3D
FYIcenter.com

 34 33  0  0  1  0  0  0  0  0999 V2000
    4.2610    3.0822    0.3932 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2991    2.4333    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472    0.9258    0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395    0.3310    0.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2391    0.7534    2.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5495    1.0203    3.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6091    0.7362    2.3232 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3776    1.0334    3.5361 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0383    0.1259    4.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4699   -1.5717    4.3866 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7451   -2.0906    3.2514 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8949   -1.7533    4.5539 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7455   -2.2263    5.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8815    0.9905    3.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2846    0.6823    2.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7378    1.3311    4.2117 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1775    1.2013    4.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8863    1.5396    5.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3023    1.8565    6.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2349    1.4726    5.2799 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    2.9388    1.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7886    0.6051   -0.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899    0.6091    1.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2943    0.6333    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738   -0.7630    0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395    0.5939    1.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1353    2.0710    3.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9729    0.1475    4.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5857    0.4232    5.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774   -2.8654    5.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4092    1.6232    5.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5004    1.8952    3.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4086    0.1707    3.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5742    1.2021    4.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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