Molecule FYI-1013479

A

Molecule Summary:

ID: FYI-1013479
Names:
InChIKey: JJYAMWJNSSHKBC-PRWGORGTSA-K
SMILES: [2H]C([2H])(C)c3c(C)c4cc2c(C)c1CC[C@@H](C(=O)[O-])c(c1[C@@H]2C)c6[n-]c(cc5nc(cc3n4)c(C)c5C)c(C)c6CCC(=O)[O-].[Ni+2]

Received at FYIcenter.com on: 2024-12-12

Molecule ID: FYI-1013479 Edit

Molecule Structure InChIKey: JJYAMWJNSSHKBC-PRWGORGTSA-K

Molecule Structure SMILES String: [2H]C([2H])(C)c3c(C)c4cc2c(C)c1CC[C@@H](C(=O)[O-])c(c1[C@@H]2C)c6[n-]c(cc5nc(cc3n4)c(C)c5C)c(C)c6CCC(=O)[O-].[Ni+2]

Download SDF Download SVG Structure in 2D SDF:

FYI-1013479
FYIcenter.com

 46 50  0  0  1  0  0  0  0  0999 V2000
   14.2073   11.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1812   10.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8860   10.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3894   12.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1744    9.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0299    8.6948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    9.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3023    7.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7498    6.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6814    5.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1078    4.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1161    3.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4233    2.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4976    1.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7328    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.3789    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
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  4  3  1  0  0  0  0
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 33 36  1  1  0  0  0
 37 36  2  0  0  0  0
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 40 39  2  0  0  0  0
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 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 41  1  0  0  0  0
 44 41  1  0  0  0  0
 45 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013479-3D
FYIcenter.com

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M  END
$$$$

✍: FYIcenter.com

2025-01-07, 1313👍, 0💬