Molecule FYI-1015874

A

Molecule Summary:

ID: FYI-1015874
Names:
InChIKey: VNTYHNXGRZUUKO-UHFFFAOYSA-N
SMILES: O=C1CCCCC(=O)NCCCCCCNC(=O)CCC(=O)NCCCCCCN1

Received at FYIcenter.com on: 2025-10-27

Molecule ID: FYI-1015874 Edit

Molecule Structure InChIKey: VNTYHNXGRZUUKO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)NCCCCCCNC(=O)CCC(=O)NCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015874
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.1665    2.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279    4.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    5.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278    6.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7764    8.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    9.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   10.1461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846   10.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3684   11.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6029   11.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9265   11.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726   11.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   11.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7648   10.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7857   10.0902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5855    9.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6910    9.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3463    2.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4676    1.5891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1491    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8257    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796    0.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784    0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    1.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    1.9071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3912    1.7599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1065    3.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    7.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  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  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27  1  1  0  0  0  0
 28 19  2  0  0  0  0
 19 29  1  0  0  0  0
 17 30  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015874-3D
FYIcenter.com

 70 70  0  0  0  0  0  0  0  0999 V2000
    6.4239    8.2138    7.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5448    7.7203    6.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0455    8.5857    7.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0351    9.5255    9.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7251   10.3757    9.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1980   10.8278   11.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0687   11.0487   11.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5765   11.7628   12.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9742   10.1992   10.5516 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1110    9.1828   10.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0836    8.2058    9.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5715    8.2346    9.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0016    7.2410    8.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5581    7.4627    8.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8991    6.4030    7.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6367    5.9845    8.1831 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9613    4.9868    7.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4149    4.4892    6.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8746    4.6112    5.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6868    3.9093    4.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9091    4.0932    4.6799 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042    3.2123    3.7499 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7440    3.2856    3.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7208    2.9122    3.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    2.7485    2.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    3.8757    3.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2345    5.5104    4.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293    6.3199    5.9625 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9509   10.0270   10.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4525    7.2262    9.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1479    8.1114   10.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3629    6.2513    8.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2759    7.4713    7.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3320    8.4246    7.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2789    7.4240    9.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8277    6.8051    6.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
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  5 35  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
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  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
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 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
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 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
M  END
$$$$

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2025-11-06, 533👍, 0💬