Molecule FYI-1012451

A

Molecule Summary:

ID: FYI-1012451
Names:
InChIKey: UOCJDOLVGGIYIQ-UHFFFAOYSA-N
SMILES: NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc1cn[nH]n1)CSC23)c4ccc(O)cc4

Received at FYIcenter.com on: 2024-09-05

Molecule ID: FYI-1012451 Edit

Molecule Structure InChIKey: UOCJDOLVGGIYIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc1cn[nH]n1)CSC23)c4ccc(O)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012451
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
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    8.9066    3.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    2.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    4.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  3  1  0  0  0  0
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 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
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 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012451-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
   -0.8410    1.9009   -1.1428 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3164    0.1540   -1.1171 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874   -2.4484   -0.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040   -2.0322    1.9029 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1277   -0.0105   -0.3656 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2395   -1.2487   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2132    1.1479    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 47  1  0  0  0  0
M  END
$$$$

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2024-09-28, 914👍, 0💬