Molecule Editor

Molecule ID: FYI-1005296 Edit

Molecule Structure InChIKey: MVORZMQFXBLMHM-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)CN)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005296
FYIcenter.com

 48 48  0  0  0  0  0  0  0  0999 V2000
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    8.5392    2.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536    6.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1106    5.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821    6.7973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    2.4678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5392    9.6015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668    1.1343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4678    4.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005296-3D
FYIcenter.com

 48 48  0     1  0  0  0  0  0999 V2000
    0.0878   -1.4508    1.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948   -3.7804    0.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6902   -3.2051   -1.2558 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680   -2.0920   -1.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3665   -0.6500    0.5243 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0558    2.9479    1.0373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110    3.3214   -0.5280 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    3.4740   -1.0329 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1017   -2.6280   -0.7067 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1262    0.0018    0.1846 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1157    1.2800   -0.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1773    2.3019    0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2535   -2.8849   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2236   -2.1763    0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$