Molecule FYI-1002530

A

Molecule Summary:

ID: FYI-1002530
Names:
InChIKey: WXIZXICELTWCHK-TXTPUJOMSA-O
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C=O)Cc1ccccc1

Received at FYIcenter.com on: 2023-04-08

Molecule ID: FYI-1002530 Edit

Molecule Structure InChIKey: WXIZXICELTWCHK-TXTPUJOMSA-O

Molecule Structure SMILES String: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C=O)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002530
FYIcenter.com

 34 34  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 10  9  2  0  0  0  0
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 16 15  1  1  0  0  0
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 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 26 12  1  0  0  0  0
 27  8  1  0  0  0  0
 28 27  1  0  0  0  0
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 30 28  1  0  0  0  0
 31  4  1  0  0  0  0
 32  2  1  0  0  0  0
 32 33  1  6  0  0  0
 34 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002530-3D
FYIcenter.com

 72 72  0  0  1  0  0  0  0  0999 V2000
    6.2143   -8.9588    4.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6798   -8.3157    5.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2457   -9.4001    6.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183   -7.3796    6.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-13, 1897👍, 0💬