Molecule FYI-1014964

A

Molecule Summary:

ID: FYI-1014964
Names:
InChIKey: UIMCLYYSUCIUJM-UWVGGRQHSA-N
SMILES: NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

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

Molecule ID: FYI-1014964 Edit

Molecule Structure InChIKey: UIMCLYYSUCIUJM-UWVGGRQHSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014964
FYIcenter.com

 21 21  0  0  1  0  0  0  0  0999 V2000
   13.4831    3.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6157    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8526    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 21  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  1  0  0  0
 15 21  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 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014964-3D
FYIcenter.com

 45 45  0     1  0  0  0  0  0999 V2000
    2.0980    1.2400   -1.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137   -1.9762    0.7617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3588   -3.0474    1.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0413   -3.2263   -0.7392 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5472    1.6138   -0.2906 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453   -1.0846   -1.1121 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2868   -1.1092   -0.5655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7165    4.7203   -0.0988 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    0.2143   -0.4675 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3518   -0.4519    0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    0.6530    1.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4916    1.6399    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    0.2026   -0.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438   -0.1465    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3503   -1.1867    0.4026 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9796    1.3108    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1112    2.3244    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025   -1.3675   -1.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176   -1.5132   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6301    3.7761    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261   -2.5857    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855   -0.2605   -1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043   -1.2454    0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441   -0.8923    1.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0506    1.1178    2.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5900    2.6410    1.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    1.3080    0.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312    2.1633   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8766   -0.2982   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9148   -1.0607    1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940    1.5032   -0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5294    1.4661    1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8612   -1.8752   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8809    2.1599    0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5858    2.1409   -0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5459   -0.5642   -2.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999   -2.3112   -2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294   -0.8171   -1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1813    3.9767    1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8547    3.9403   -0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4356    4.5963    0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519   -3.9432    1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 19  2  0  0  0  0
  3 21  1  0  0  0  0
  3 45  1  0  0  0  0
  4 21  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  6 35  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 40  1  0  0  0  0
  8 20  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 21  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$

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2025-06-18, 917👍, 0💬