Molecule FYI-1014485

A

Molecule Summary:

ID: FYI-1014485
Names:
InChIKey: QLRMMMQNCWBNPQ-QXEWZRGKSA-N
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O

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

Molecule ID: FYI-1014485 Edit

Molecule Structure InChIKey: QLRMMMQNCWBNPQ-QXEWZRGKSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014485
FYIcenter.com

 24 23  0  0  1  0  0  0  0  0999 V2000
    6.0621    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 N   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
  2  1  1  1  0  0  0
  3 13  1  0  0  0  0
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  5 13  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  4  8  1  6  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  6  0  0  0
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 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014485-3D
FYIcenter.com

 52 51  0     1  0  0  0  0  0999 V2000
   -2.4993    1.2883   -1.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139   -2.1729    0.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2591   -2.1527    0.6918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037   -4.3934    0.6023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4141    0.1659    0.1005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0832    2.5439    0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -2.1609   -0.9258 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    1.7241   -0.0343 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538    3.7867    0.4453 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7261    2.2031   -0.8746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6264    0.1060    0.6093 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5429    1.2179    0.5774 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2561   -0.2543   -0.6552 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2982   -0.0995   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621    0.7951   -0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4505    0.9098   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6642    0.3937    1.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4017    1.0891    0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3388   -1.2123   -0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948   -1.6204   -0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851    2.1638    0.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847   -3.4601   -0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214    2.5422   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9674   -3.4030    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5701   -0.3875   -1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6857    0.4773   -1.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8093    0.1722    1.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5857    1.4235    1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5562   -1.6442   -1.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0246   -4.1121   -0.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5897    4.3427    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7774    1.3142   -1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5196    2.8285   -0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -2.1417    1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 20  2  0  0  0  0
  3 24  1  0  0  0  0
  3 52  1  0  0  0  0
  4 24  2  0  0  0  0
  5 13  1  0  0  0  0
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  5 32  1  0  0  0  0
  6 12  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7 20  1  0  0  0  0
  7 22  1  0  0  0  0
  7 45  1  0  0  0  0
  8 21  1  0  0  0  0
  8 23  2  0  0  0  0
  9 23  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 23  1  0  0  0  0
 10 50  1  0  0  0  0
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 11 12  1  0  0  0  0
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 11 25  1  0  0  0  0
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 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 17 33  1  0  0  0  0
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 18 21  1  0  0  0  0
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 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1346👍, 0💬