Molecule FYI-1001396

A

Molecule Summary:

ID: FYI-1001396
SMILES: N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)NCC(=O)NCC(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(C)C(=O)O

Received at FYIcenter.com on: 2022-07-02

Molecule ID: FYI-1001396 Edit

Molecule Structure SMILES String: N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)NCC(=O)NCC(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001396
FYIcenter.com

 39 38  0  0  1  0  0  0  0  0999 V2000
   25.4611    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    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
   24.2487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.8000    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
   20.6113    4.2000    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
   21.8239    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   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
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   10.9119    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    2.4249    2.1000    0.0000 C   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
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
  2  1  1  1  0  0  0
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  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  6  0  0  0
  9 11  2  0  0  0  0
 10  8  1  0  0  0  0
 11 33  1  0  0  0  0
 10 12  1  1  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
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 32 31  1  6  0  0  0
 33 35  1  0  0  0  0
 34 32  1  0  0  0  0
 35 38  1  0  0  0  0
 34 36  1  1  0  0  0
 37 34  1  0  0  0  0
 38 32  1  0  0  0  0
 39 38  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001396-3D
FYIcenter.com

 76 75  0  0  1  0  0  0  0  0999 V2000
   23.7301   13.2365   20.1164 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2744   11.9168   19.6124 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.0196   11.1681   19.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9241   11.5496   20.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1852   11.9007   18.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4625   11.1186   17.4365 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9908   12.8024   17.4160 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1420   12.8673   15.9557 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.8908   13.6549   15.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7081   11.5699   15.3147 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.1010   10.6996   15.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0264   11.3292   15.8314 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8283   11.6411   13.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8391   13.3886   15.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6170   14.5894   15.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9083   12.4336   14.9428 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6345   12.7946   14.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7383   12.8985   12.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6720   11.9209   12.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9608   14.1723   12.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2151   14.4132   10.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9547   14.1895   10.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0672   15.0317    9.9990 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8799   12.9390    9.4890 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5815    8.4541    8.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1167👍, 0💬