Molecule FYI-1015926

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A

Molecule Summary:

ID: FYI-1015926
Names:
InChIKey: ISLAAYAUOAAPFB-UHFFFAOYSA-N
SMILES: CCCN(CCC)C(=O)COCC(=O)N(CCC)CCC

Received at FYIcenter.com on: 2025-11-04

Molecule ID: FYI-1015926 Edit

Molecule Structure InChIKey: ISLAAYAUOAAPFB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCN(CCC)C(=O)COCC(=O)N(CCC)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015926
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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 C   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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   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  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  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015926-3D
FYIcenter.com

 53 52  0     0  0  0  0  0  0999 V2000
   -0.0058   -0.5698   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2303   -1.8967   -0.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -1.8938    0.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6439   -0.0548   -0.1331 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443   -0.0548    0.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8479   -0.8751   -0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8767    1.3866   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467   -0.8775    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801    1.3861    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3606   -1.2366    1.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9281    2.0102   -1.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -1.2408   -1.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9328    2.0102    1.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -0.6730   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923   -0.6703    0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1731    0.2218   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    0.2268    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6055   -2.1114    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1487    3.5157   -1.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6017   -2.1181   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    3.5153    1.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6222   -1.7974   -0.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6187   -0.3487   -0.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0824    1.8644    0.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8105    1.5796    0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6191   -1.7991    0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6186   -0.3523    0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864    1.8650   -0.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    1.5771   -0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5762   -1.7602    1.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5864   -0.3240    1.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9998    1.8013   -2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345    1.5494   -2.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730   -1.7631   -1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862   -0.3290   -1.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0041    1.8034    2.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7382    1.5480    2.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    0.8551   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2285    0.8378    0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460    0.8588    0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    0.8411   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4236   -1.6014    0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034   -3.0537    0.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9389   -2.3463    2.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0927    3.7593   -0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3368    4.0155   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1847    3.9206   -2.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4208   -1.6093   -0.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3978   -3.0597   -0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9346   -2.3541   -2.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1010    3.7567    0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455    4.0164    0.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1932    3.9206    2.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 18  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 19  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 20  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 21  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
M  END
$$$$

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2025-11-06, 170👍, 0💬