Molecule FYI-1007459

A

Molecule Summary:

ID: FYI-1007459
Names:
InChIKey: BJSXIKBHALJNME-YTFOTSKYSA-I
SMILES: [NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007459 Edit

Molecule Structure InChIKey: BJSXIKBHALJNME-YTFOTSKYSA-I

Molecule Structure SMILES String: [NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007459
FYIcenter.com

 46 45  0  0  1  0  0  0  0  0999 V2000
   19.3991    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.3991    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.6115    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8241    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0365    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2489    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0365    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.1867    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5493    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    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
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  2  1  1  6  0  0  0
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 42 41  1  6  0  0  0
 43 46  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007459-3D
FYIcenter.com

 78 77  0  0  1  0  0  0  0  0999 V2000
    2.9610    6.5631   -1.0858 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1341    6.4140    0.3946 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7836    6.5487    1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0673    7.8982    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6575    8.1551   -0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4863    7.7715   -0.8007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    8.5659   -1.1977 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7418    5.0107    0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9158    4.3369   -0.4160 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988    4.6030    1.8936 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286    3.4035    2.2014 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4471    2.1862    1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7230   -0.3190    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097   -0.0861   -0.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424   -1.4280    1.5164 O   0  5  0  0  0  0  0  0  0  0  0  0
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    6.6557    4.7158    1.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2340    3.0207    2.8007 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    3.2162    2.8328 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3034    3.4640    1.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-03-07, 1472👍, 0💬