Molecule FYI-1005716

A

Molecule Summary:

ID: FYI-1005716
Names:
InChIKey: GLUKBVYRPGSVRP-KOIGGSBLSA-N
SMILES: CN3C[C@H](C(=O)CN1CCCCC1)C=C2c5cccc4NCC(C[C@H]23)c45

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005716 Edit

Molecule Structure InChIKey: GLUKBVYRPGSVRP-KOIGGSBLSA-N

Molecule Structure SMILES String: CN3C[C@H](C(=O)CN1CCCCC1)C=C2c5cccc4NCC(C[C@H]23)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005716
FYIcenter.com

 26 30  0  0  1  0  0  0  0  0999 V2000
    2.9444    8.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444    7.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347    6.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539    6.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635    7.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5730    6.3490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5730    4.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7827    4.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7827    2.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5730    2.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635    2.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635    4.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539    4.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2374    1.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3834    0.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8633    0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2525    0.6468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8205    1.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7827    7.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709    9.6110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7947   10.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211   12.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238   11.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    9.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  6  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  2  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19  9  1  0  0  0  0
 20  6  1  0  0  0  0
  1 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005716-3D
FYIcenter.com

 55 59  0  0  1  0  0  0  0  0999 V2000
    0.9468    0.2306   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    0.0420    0.1681 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7638   -1.3728    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198   -2.0198    1.1620 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8077   -2.9375    2.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -4.1323    2.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6637   -2.3487    2.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778   -2.4035    2.1879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467   -3.7884    1.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362   -3.8050    1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4509   -3.0315    1.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -1.6361    2.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560   -1.6899    2.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -1.0743    2.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126    0.2123    2.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5844    1.0837    3.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0833    0.6799    4.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381    1.6291    5.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9997    2.9741    5.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4377    3.3392    4.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8293    4.5873    3.7155 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0954    4.2107    2.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453    3.1413    1.7665 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3411    2.2049    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8843    0.8366    1.3010 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3842    2.4359    2.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5971   -0.3435   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155    1.2788   -0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3576   -0.0714    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -1.4185   -0.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -2.0170   -0.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3591   -2.6591    0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101   -1.3154    3.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.8935    3.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899   -4.3359    2.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097   -4.3242    1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520   -4.8405    0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440   -3.3645    0.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656   -3.5737    2.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3236   -2.9619    1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7418   -1.1419    2.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8504   -1.0302    1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142   -2.1677    3.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3358   -0.6588    3.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660   -1.4990    2.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2338   -0.3700    4.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7405    1.2960    6.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1032    3.6882    6.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    5.2609    3.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9348    5.0919    1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070    3.8176    2.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8156    3.6423    1.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282    2.0002   -0.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440    2.7179    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550    1.0234    2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  6  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  2  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  2  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  1  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 2285👍, 0💬