Molecule FYI-1014480

A

Molecule Summary:

ID: FYI-1014480
Names:
InChIKey: WDXYVIIVDIDOSX-DCAQKATOSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)O

Received at FYIcenter.com on: 2025-04-21

Molecule ID: FYI-1014480 Edit

Molecule Structure InChIKey: WDXYVIIVDIDOSX-DCAQKATOSA-N

Molecule Structure SMILES String: CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014480
FYIcenter.com

 26 25  0  0  1  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 22  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  6  0  0  0
 10 22  2  0  0  0  0
 11  9  1  0  0  0  0
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 18  9  1  0  0  0  0
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 21 20  1  1  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014480-3D
FYIcenter.com

 56 55  0     1  0  0  0  0  0999 V2000
   -0.3402   -1.3659    1.8463 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6727    0.0730   -0.1846 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7401   -1.3190    1.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -0.3910   -1.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6154   -2.5837   -0.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2764   -0.9948    0.2218 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2947   -0.2667    0.3764 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906    3.6483   -0.1244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1148    0.9608    0.6370 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908    4.9419   -1.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237    6.0373   -0.3098 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -3.1673    0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9661   -0.1785   -0.1720 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3710   -1.6616    0.8893 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2921   -3.6062   -0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553    1.2730   -0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012   -0.9017    0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200    2.1634    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -3.0039   -1.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -5.1207   -1.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -0.9805    0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440    3.6057    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4320   -0.3672   -0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7157   -0.4261    0.4059 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.6452    4.8169   -0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142   -3.6065    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -3.6317    1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9593   -0.7243   -1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1902   -1.5468    1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -3.2173   -1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    1.2909   -0.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    1.7092   -1.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4524   -0.6212   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025    1.7592    1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5004    2.1615    1.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8041   -0.9584    0.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513    0.4979   -0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4037    1.4332    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3425   -3.0383   -0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    4.1287   -1.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2647    5.8466   -1.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0982    6.1288    0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    6.8938   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 21  1  0  0  0  0
  2 49  1  0  0  0  0
  3 21  2  0  0  0  0
  4 23  2  0  0  0  0
  5 25  1  0  0  0  0
  5 52  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 34  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  7 37  1  0  0  0  0
  8 22  1  0  0  0  0
  8 26  2  0  0  0  0
  9 24  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 26  1  0  0  0  0
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 11 26  1  0  0  0  0
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 13 29  1  0  0  0  0
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 15 19  1  0  0  0  0
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 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 22  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
$$$$

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2025-04-26, 192👍, 0💬