Molecule FYI-1006978

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A

Molecule Summary:

ID: FYI-1006978
Names:
InChIKey: LIWMQSWFLXEGMA-WDSKDSINSA-N
SMILES: CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006978 Edit

Molecule Structure InChIKey: LIWMQSWFLXEGMA-WDSKDSINSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006978
FYIcenter.com

 13 12  0  0  1  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 13  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  1  0  0  0
  9 13  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006978-3D
FYIcenter.com

 29 28  0     1  0  0  0  0  0999 V2000
    1.3083   -2.2030    0.6032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5727    0.9088   -1.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721   -1.3237   -0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498   -0.2247    0.2263 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7343    0.9586    0.3252 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460    1.3291    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553   -0.0011   -0.3530 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8223    1.7238   -0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7948    1.3340    1.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7493   -0.1096    0.4746 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5193    0.2554   -0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8574   -1.2140   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3308   -1.4337   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084    2.1185   -0.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101    0.0711   -1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4016   -0.7518    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1045    2.7530   -0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    1.6749   -1.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694    1.0839   -0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    0.5778    1.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731    2.3096    1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8727    1.1387    2.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.1876    1.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026   -2.2428    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5964   -1.3964   -1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2290   -1.6990    0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9986    1.0582   -0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3268    1.8485    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111   -2.9716    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 29  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5 10  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

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2024-01-31, 866👍, 0💬