Molecule FYI-1016513

A

Molecule Summary:

ID: FYI-1016513
Names:
InChIKey: TUTIHHSZKFBMHM-WHFBIAKZSA-N
SMILES: NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

Received at FYIcenter.com on: 2026-01-15

Molecule ID: FYI-1016513 Edit

Molecule Structure InChIKey: TUTIHHSZKFBMHM-WHFBIAKZSA-N

Molecule Structure SMILES String: NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016513
FYIcenter.com

 18 17  0  0  1  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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
    8.4871    2.1000    0.0000 C   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
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    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
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   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    4.2000    0.0000 O   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
    1.2124    3.5000    0.0000 O   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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 18  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
  7  6  2  0  0  0  0
  8  6  1  0  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  1  0  0  0
 13 18  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016513-3D
FYIcenter.com

 33 32  0     1  0  0  0  0  0999 V2000
    0.2483    0.6501    2.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517   -2.6726    1.5914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3048   -2.6015   -0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713   -1.8757   -1.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2117    1.7620    0.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3735    0.2074   -1.9305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012    0.1874    0.0307 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2506    2.9681    0.7357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7278    1.1418   -2.1069 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579    1.5846    0.3042 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8611    1.1256    0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6434   -0.6187    0.3972 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3555    0.7586    0.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7852   -0.5169   -0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471   -0.3418    0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -2.0462    0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2612    0.9067   -0.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0920   -0.6189   -1.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630    1.5558   -0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    1.7603    0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881    1.2605    1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888   -0.2506    1.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2905    0.2770   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6447   -1.1074   -0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645   -0.9441   -1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1492   -0.6118    0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286   -0.9884    0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588    3.5662    0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    3.0428    1.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610    0.4183   -2.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0672    2.0593   -2.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -3.6008    1.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281   -2.0362   -2.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 16  1  0  0  0  0
  2 32  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  1  0  0  0  0
  4 33  1  0  0  0  0
  5 17  2  0  0  0  0
  6 18  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 17  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$

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