Molecule FYI-1007394

A

Molecule Summary:

ID: FYI-1007394
Names:
InChIKey: XOTNZQATBKLNQV-VNSHMCDUSA-K
SMILES: Nc3ccn(C2OC(COP(=O)(N[C@@H](c1ccccc1)P(=O)(O[Na])O[Na])O[Na])C(O)C2O)c(=O)n3

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007394 Edit

Molecule Structure InChIKey: XOTNZQATBKLNQV-VNSHMCDUSA-K

Molecule Structure SMILES String: Nc3ccn(C2OC(COP(=O)(N[C@@H](c1ccccc1)P(=O)(O[Na])O[Na])O[Na])C(O)C2O)c(=O)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007394
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    3.6373    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.6624    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 34  5  1  0  0  0  0
 35 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007394-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    5.3447   -3.1226    6.1175 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0980   -3.0016    4.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3730   -4.1266    4.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1120   -3.9668    2.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5555   -2.7412    2.5869 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151   -2.6657    1.3183 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8082   -1.3639    1.0193 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6036   -1.1415   -0.3667 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8211   -0.4718   -1.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327   -0.2341   -2.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9874    0.2249   -3.2367 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.2695   -0.2348   -2.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9472   -1.6073   -4.9578 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5545   -1.0016   -4.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2939    0.3380   -5.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072    0.8692   -5.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9752    0.0774   -4.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2536   -4.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4982   -1.7923   -4.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1024   -2.6427   -6.4587 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8236   -1.4999   -7.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5380   -3.3894   -5.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-02-28, 554👍, 0💬