Molecule FYI-1015807

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A

Molecule Summary:

ID: FYI-1015807
Names:
InChIKey: RFEQCXBQDJQMIK-HTQZYQBOSA-N
SMILES: NC(=O)CC[C@H]1CCCC[C@H]1NC(=O)O

Received at FYIcenter.com on: 2025-10-14

Molecule ID: FYI-1015807 Edit

Molecule Structure InChIKey: RFEQCXBQDJQMIK-HTQZYQBOSA-N

Molecule Structure SMILES String: NC(=O)CC[C@H]1CCCC[C@H]1NC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015807
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  1  9  1  0  0  0  0
  8 10  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015807-3D
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    2.9894   -2.0877   -5.2393 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -2.0760   -4.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2465   -2.0575   -5.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1308   -2.1075   -3.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5174   -2.1166   -2.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4729   -2.1432   -0.9103 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7254   -3.3750   -0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4864   -4.6752   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8739   -4.6218    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650   -3.4012   -0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8859   -2.0896   -0.2607 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978   -0.9789   -0.7429 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5476    0.2856   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7644    0.6313    0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891    1.1402   -0.8649 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -2.0707   -6.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144   -2.0615   -4.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689   -3.0077   -2.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5646   -1.2309   -2.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   -1.2177   -2.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0931   -2.9658   -2.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194   -1.2489   -0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161   -3.4509   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5889   -3.2490    0.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724   -4.8667   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9265   -5.5173   -0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4289   -5.5330   -0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -4.5994    1.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9567   -3.5292   -1.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017   -3.3479    0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7402   -1.9305    0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2915   -1.1555   -1.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9673    0.6907   -1.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6  5  1  0  0  0  0
  6 22  1  1  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  1  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

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2025-10-24, 864👍, 0💬