Molecule Editor

Molecule ID: FYI-1004111 Edit

Molecule Structure InChIKey: RKBWGDLFVFDNGK-AWEZNQCLSA-N

Molecule Structure SMILES String: CCc3ccc(c1ncn([C@@H](C)C(=O)O)c1c2ccccc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004111
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
    8.4517    9.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0594    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4900    8.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0976    8.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5282    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7434    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3128    7.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7817    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2659    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5448    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004111-3D
FYIcenter.com

 44 46  0  0  1  0  0  0  0  0999 V2000
    3.8300    0.8977   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471    0.1197    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703   -1.1201    0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8169   -1.0683    2.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -2.2278    3.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821   -3.4584    2.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720   -4.6387    3.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -4.8984    4.4969 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767   -6.0124    4.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5596   -6.5095    3.9757 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2407   -7.7999    4.0919 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6475   -8.1712    5.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4531   -8.9611    3.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8972  -10.1046    3.4666 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486   -8.6924    2.9389 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$