Molecule Editor

Molecule ID: FYI-1007481 Edit

Molecule Structure InChIKey: LTNDCDFBEMRDMF-UHFFFAOYSA-N

Molecule Structure SMILES String: CSCCC(N)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007481
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
   13.2319    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4443    4.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4443    2.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6568    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0195    4.2589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2320    6.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4444    7.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4444    8.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.6569    9.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8071    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5946    4.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3822    4.9589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8071    6.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5947    2.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3822    2.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3823    0.7589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1698    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1698    4.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9573    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7449    4.2588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5325    4.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200    4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1076    4.9588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1698    2.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324    6.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9573    6.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697    7.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697    8.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3821    9.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547    2.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    2.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1947    0.7298    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  2  0  0  0  0
 21 25  2  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007481-3D
FYIcenter.com

 71 70  0  0  1  0  0  0  0  0999 V2000
    1.0424   -1.5910   -1.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7328   -1.8916   -0.6109 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   -1.3799   -2.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1548   -1.5185   -1.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6931   -2.9353   -1.6692 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3781   -3.8909   -2.7545 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2315   -2.9074   -1.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8967   -1.8753   -1.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7880   -4.1512   -1.2520 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2271   -4.3476   -1.0730 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6168   -4.1444    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1027   -4.3176    0.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1529   -3.1613   -0.2084 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7711   -3.7140    0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6008   -5.7750   -1.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8437   -6.7312   -1.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8683   -5.9042   -2.0504 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4591   -7.1931   -2.4291 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7129   -7.8144   -3.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1749   -9.2037   -4.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1707  -10.4495   -2.7315 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3939  -10.4918   -2.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9486   -6.9457   -2.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3630   -5.8436   -3.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7651   -8.0514   -2.7281 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1511   -8.0292   -3.2076 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.1097   -7.5786   -2.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5769   -7.4672   -2.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8526   -6.3781   -3.9581 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.3062   -4.8039   -3.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5103   -9.4379   -3.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2579   -4.1394    1.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
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 33 71  1  0  0  0  0
M  END
$$$$