Molecule FYI-1014965

A

Molecule Summary:

ID: FYI-1014965
Names:
InChIKey: RWXGNXVZJKXIRV-JYJNAYRXSA-N
SMILES: CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

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

Molecule ID: FYI-1014965 Edit

Molecule Structure InChIKey: RWXGNXVZJKXIRV-JYJNAYRXSA-N

Molecule Structure SMILES String: CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014965
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    1.9279   15.9068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2593   16.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2998   15.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088   14.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312   15.8352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6717   14.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0031   15.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2941   16.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2538   17.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6257   17.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806   13.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491   13.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210   12.5923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536   10.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  1  0  0  0
  7 28  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 28  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 15 20  1  1  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  6  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014965-3D
FYIcenter.com

 71 71  0  0  1  0  0  0  0  0999 V2000
    3.3123    3.0670   -3.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6159    3.0477   -1.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969    3.0019   -1.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0464    1.8571   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5558    1.7179   -0.5051 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7701    0.4695    0.2325 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810   -0.6764   -0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954   -0.7332   -1.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2668   -1.9002    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1378   -1.5161    2.0113 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1404    2.8482    0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4566    3.3903    1.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970    3.1055    0.2731 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4640    2.4220   -0.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6766    2.3305    0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6503    3.6466    1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    4.0968    1.1240 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0103    5.5328    0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1001    5.8644   -0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9544    6.4477    0.9760 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0421    7.7673    0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4193    8.3840    0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3262    7.7706    1.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5574    9.6707    0.1914 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7876   10.4527    0.3289 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7350   10.2181   -0.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1090   10.6429   -2.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0421   10.4488   -3.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3207   10.8802   -4.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1751   10.7145   -5.8336 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4037    0.3793    1.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2005   -2.4541    0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4139   10.2803   -4.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 31  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 1500👍, 0💬