Molecule FYI-1015590

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A

Molecule Summary:

ID: FYI-1015590
Names:
InChIKey: NTNWOCRCBQPEKQ-RXMQYKEDSA-N
SMILES: C/N=C(N)/NCCC[C@@H](N)C(=O)O

Received at FYIcenter.com on: 2025-09-09

Molecule ID: FYI-1015590 Edit

Molecule Structure InChIKey: NTNWOCRCBQPEKQ-RXMQYKEDSA-N

Molecule Structure SMILES String: C/N=C(N)/NCCC[C@@H](N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015590
FYIcenter.com

 13 12  0  0  1  0  0  0  0  0999 V2000
    2.9589    8.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919    7.6060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442    7.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354    6.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    4.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119    3.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0972    2.4144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2885    1.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8944    1.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9589    9.9154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589    8.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015590-3D
FYIcenter.com

 29 28  0     1  0  0  0  0  0999 V2000
   -3.9632   -1.5563    0.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9081   -0.2100   -0.7542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    0.6431    0.2512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9747    1.6793   -0.5094 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4191    1.2324    0.4422 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430   -0.9558   -0.3479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4783   -0.2418   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2227    0.5971    0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042    0.4637    0.2858 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0679   -0.1703   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0017   -0.4359    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5386    0.2315    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579   -1.2769   -0.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -0.5492   -1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4141   -1.1706    0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345    0.9173    1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2374    1.5108   -0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8246    0.7497    1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0985   -1.0767    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0863   -0.4797   -1.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578    1.5838    0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8718    2.1126   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9913    1.4473   -1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7365   -2.1375    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852    2.1312    0.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4241    1.1120    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7543   -0.6175   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -2.3011   -0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7718   -1.2302    0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 24  1  0  0  0  0
  2 11  2  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$

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2025-09-24, 791👍, 0💬