Molecule FYI-1012394

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A

Molecule Summary:

ID: FYI-1012394
Names:
InChIKey: JEFZIKRIDLHOIF-UHFFFAOYSA-N
SMILES: NC(=O)CCC(N)C(=O)NCC(=O)O

Received at FYIcenter.com on: 2024-09-02

Molecule ID: FYI-1012394 Edit

Molecule Structure InChIKey: JEFZIKRIDLHOIF-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)CCC(N)C(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012394
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 O   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
    9.6995    0.0000    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
    7.2747    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    4.8497    0.0000    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    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
  2  1  2  0  0  0  0
  3  2  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  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012394-3D
FYIcenter.com

 27 26  0     1  0  0  0  0  0999 V2000
   -0.8063    1.2398    1.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0354   -0.6132    0.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7649   -1.7719   -0.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9492   -1.8247    0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164    3.1803   -0.1827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957    0.8055   -0.6742 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205   -2.5252   -0.2308 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5247    1.7607   -0.5282 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8098    1.0439   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867   -0.4622   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098    1.2392    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0701   -1.1724    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.2953   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646   -1.1952   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4074    1.6678   -1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767    1.1966    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728    1.4902   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9684   -0.9350    0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6122   -0.6378   -1.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4202    3.5931   -0.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993    3.2842    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226    0.8246   -1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7027    0.5285   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517    0.7855    0.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2081   -2.9683   -0.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074   -3.1275   -0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846   -2.7407   -0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 14  1  0  0  0  0
  3 27  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$

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2024-09-28, 1181👍, 0💬