Molecule FYI-1005953

A

Molecule Summary:

ID: FYI-1005953
Names:
InChIKey: GVGOZYJHWUIVHV-ZDUSSCGKSA-N
SMILES: C[C@@H](CC(=O)/N=C(N)/NCCCc1c[nH]cn1)C2CCCCC2

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1005953 Edit

Molecule Structure InChIKey: GVGOZYJHWUIVHV-ZDUSSCGKSA-N

Molecule Structure SMILES String: C[C@@H](CC(=O)/N=C(N)/NCCCc1c[nH]cn1)C2CCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005953
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
   14.3401    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
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 10  9  1  0  0  0  0
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 18  2  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005953-3D
FYIcenter.com

 52 53  0     1  0  0  0  0  0999 V2000
    0.1933   -0.3722    0.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691    1.9067    0.2985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976    1.7352   -0.1456 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5717    3.8714    0.1980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0089   -2.0244    0.1072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1545   -1.7385   -0.3894 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982   -1.2452    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1829   -0.2610    0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6753   -0.9910   -1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9018   -1.1548    0.3846 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6772   -0.2945    0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4738    0.3164    0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803   -1.9249    1.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  0  0  0  0
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 23 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1715👍, 0💬