Molecule FYI-1014939

A

Molecule Summary:

ID: FYI-1014939
Names:
InChIKey: VUEDMHJDUUBAOY-ULQDDVLXSA-N
SMILES: CSCC[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Received at FYIcenter.com on: 2025-06-10

Molecule ID: FYI-1014939 Edit

Molecule Structure InChIKey: VUEDMHJDUUBAOY-ULQDDVLXSA-N

Molecule Structure SMILES String: CSCC[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014939
FYIcenter.com

 35 35  0  0  1  0  0  0  0  0999 V2000
   19.3990    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 26 25  1  6  0  0  0
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 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014939-3D
FYIcenter.com

 70 70  0  0  1  0  0  0  0  0999 V2000
    1.4227   -0.1872    6.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    0.0223    6.5793 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522   -0.6329    4.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9570   -0.6633    4.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800   -1.1744    3.2507 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9483   -2.5477    3.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094   -2.8695    2.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914   -2.0405    1.3975 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -4.3705    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9163   -1.0976    3.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6875   -1.3018    4.1610 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1505   -1.3256    4.1825 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8183   -0.0220    3.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5475    1.2206    4.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3700    1.5631    5.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    2.7783    6.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2037    3.6623    5.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3547    3.3156    4.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5195    2.0977    4.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5683   -1.7154    5.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7359   -1.8881    6.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4794   -2.1125    7.1639 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-06-21, 1055👍, 0💬