Molecule FYI-1004140

A

Molecule Summary:

ID: FYI-1004140
Names:
InChIKey: PGHBDPQSAHVNTH-VBIGXXNLSA-N
SMILES: N[C@@H](CC[C@H](N)C(=O)O)C[C@H]3O[C@@H](N2CNC1C(N)NCNC12)[C@H](O)[C@@H]3O

Received at FYIcenter.com on: 2023-08-17

Molecule ID: FYI-1004140 Edit

Molecule Structure InChIKey: PGHBDPQSAHVNTH-VBIGXXNLSA-N

Molecule Structure SMILES String: N[C@@H](CC[C@H](N)C(=O)O)C[C@H]3O[C@@H](N2CNC1C(N)NCNC12)[C@H](O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004140
FYIcenter.com

 27 29  0  0  1  0  0  0  0  0999 V2000
   10.6604    2.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6604    3.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8728    4.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0852    3.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2976    4.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2976    5.6802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5101    3.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7225    4.2802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2789    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6906    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 18  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004140-3D
FYIcenter.com

 58 60  0  0  1  0  0  0  0  0999 V2000
    5.3619   -4.6137   -0.7914 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188   -4.5573   -2.1026 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5349   -3.1219   -2.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1644   -2.8731   -3.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6744   -1.4353   -3.9071 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-08-25, 421👍, 0💬