Molecule FYI-1007481

A

Molecule Summary:

ID: FYI-1007481
Names:
InChIKey: LTNDCDFBEMRDMF-UHFFFAOYSA-N
SMILES: CSCCC(N)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)O

Received at FYIcenter.com on: 2024-02-24

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
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    8.3823    0.7589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3821    9.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0  0  0  0
 18 24  2  0  0  0  0
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 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
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    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
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    9.6008   -5.7750   -1.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4591   -7.1931   -2.4291 C   0  0  3  0  0  0  0  0  0  0  0  0
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   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
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 31 32  2  0  0  0  0
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 33 71  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1910👍, 0💬