Molecule FYI-1007275

A

Molecule Summary:

ID: FYI-1007275
Names:
InChIKey: NANBGKDCGTYCAR-OXMIBSBGSA-N
SMILES: CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

Received at FYIcenter.com on: 2024-02-14

Molecule ID: FYI-1007275 Edit

Molecule Structure InChIKey: NANBGKDCGTYCAR-OXMIBSBGSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007275
FYIcenter.com

 42 41  0  0  1  0  0  0  0  0999 V2000
   18.1866    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 O   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
    6.0621    2.1000    0.0000 C   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
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   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
    0.0000    4.2000    0.0000 O   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
  2  1  1  1  0  0  0
  3 22  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  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  1  0  0  0
 12 22  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  6  0  0  0
 22 39  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
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 28 21  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  1  0  0  0
 32 42  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 31  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  1  0  0  0
 40 42  2  0  0  0  0
 41 39  1  0  0  0  0
 42 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007275-3D
FYIcenter.com

 81 80  0  0  1  0  0  0  0  0999 V2000
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   22.1707   -1.2356   -1.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2981   -0.4141   -2.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8776   -0.9661   -2.6901 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1482   -0.0698   -3.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0917   -1.0643   -1.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2289   -0.2567   -0.4376 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1807   -2.0953   -1.3046 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3245   -2.3494   -0.1410 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.0377   -1.5173   -0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1059   -1.6988    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8343   -0.9040    0.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5424   -0.1767   -0.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0120   -1.0774    1.8876 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5331   -5.8708    1.3234 C   0  0  1  0  0  0  0  0  0  0  0  0
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 42 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 161👍, 0💬