Molecule FYI-1014985

A

Molecule Summary:

ID: FYI-1014985
Names:
InChIKey: DMKWYMWNEKIPFC-IUCAKERBSA-N
SMILES: N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

Received at FYIcenter.com on: 2025-06-12

Molecule ID: FYI-1014985 Edit

Molecule Structure InChIKey: DMKWYMWNEKIPFC-IUCAKERBSA-N

Molecule Structure SMILES String: N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014985
FYIcenter.com

 23 23  0  0  1  0  0  0  0  0999 V2000
   15.8282    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6955    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 23  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  6  0  0  0
 15 23  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014985-3D
FYIcenter.com

 47 47  0     1  0  0  0  0  0999 V2000
    2.1689   -0.7972    1.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    2.1808   -1.2615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    3.3447    1.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7334    3.4776   -0.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3740   -1.9945    0.6666 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9053    1.3354    0.7660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5349    2.1607    0.2613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031   -2.1699    0.4938 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5254   -4.1883    1.1630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0733   -3.9427   -1.0575 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3698   -0.5447    0.4710 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6193   -0.3190   -1.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7782   -1.7153   -1.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1916   -2.5506   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0363   -0.0412    0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6160    2.2722   -0.6849 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1138    0.9072   -1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149    2.0598    1.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600    0.0057   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8045    2.1238   -0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0957   -1.3479   -0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0333   -3.3541    0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2182    1.5717    1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4342   -4.8828   -1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 20  2  0  0  0  0
  3 22  1  0  0  0  0
  3 43  1  0  0  0  0
  4 22  2  0  0  0  0
  5 11  1  0  0  0  0
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  5 31  1  0  0  0  0
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  6 18  1  0  0  0  0
  6 32  1  0  0  0  0
  7 16  1  0  0  0  0
  7 20  1  0  0  0  0
  7 40  1  0  0  0  0
  8 21  1  0  0  0  0
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  9 45  1  0  0  0  0
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 10 47  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
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 16 22  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  1  0  0  0  0
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 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

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2025-06-18, 1686👍, 0💬