Molecule FYI-1004633

A

Molecule Summary:

ID: FYI-1004633
Names:
InChIKey: DWCBXXMMBVRVDP-UHFFFAOYSA-O
SMILES: CNC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(C)=O

Received at FYIcenter.com on: 2023-09-15

Molecule ID: FYI-1004633 Edit

Molecule Structure InChIKey: DWCBXXMMBVRVDP-UHFFFAOYSA-O

Molecule Structure SMILES String: CNC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004633
FYIcenter.com

 41 40  0  0  0  0  0  0  0  0999 V2000
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   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
   15.7616    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
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 27 26  1  0  0  0  0
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 38 32  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004633-3D
FYIcenter.com

 91 90  0  0  1  0  0  0  0  0999 V2000
    1.5820   -0.7836   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1753   -0.2629   -1.5794 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8328   -1.6486   -1.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3575   -1.6286   -1.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9110   -3.0321   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3727   -3.0277   -0.9988 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0997   -4.1488   -0.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4331   -4.0711   -0.7929 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6527    0.4221   -2.7967 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8218    1.1580   -2.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5378    1.2904   -1.8380 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2248    1.8005   -4.1989 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.8147    4.2905   -3.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2852    4.6796   -3.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-23, 1890👍, 0💬