Molecule FYI-1005615

A

Molecule Summary:

ID: FYI-1005615
Names:
InChIKey: WDZCUPBHRAEYDL-IFJJENNTSA-N
SMILES: CO[C@H]1/C=C/O[C@@]6(C)Oc5c(C)c(O)c4c(O)c(NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)c(/C=N/N3CCN(C2CCCC2)CC3)c(O)c4c5C6=O

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005615 Edit

Molecule Structure InChIKey: WDZCUPBHRAEYDL-IFJJENNTSA-N

Molecule Structure SMILES String: CO[C@H]1/C=C/O[C@@]6(C)Oc5c(C)c(O)c4c(O)c(NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)c(/C=N/N3CCN(C2CCCC2)CC3)c(O)c4c5C6=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005615
FYIcenter.com

 63 68  0  0  1  0  0  0  0  0999 V2000
   11.2759    5.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5804    5.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2165    3.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6036    3.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3111    4.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7141    4.6678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6989    6.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0367    6.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7812    7.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4894    8.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0011    9.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8819   10.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6323    9.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1442   11.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7515    8.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6716    9.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645   10.9066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845    9.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6205   10.8287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2335   10.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5696   12.0815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5102    9.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1231    9.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    8.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4943    7.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1146    6.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    4.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141    4.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0551    3.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1009    3.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3318    2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    1.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2724    0.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3828    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0466    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1060    2.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129    3.6520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    4.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8488    4.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5017    6.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    2.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1571    1.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4060    7.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2044    7.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087    7.7461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7880    7.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5994    7.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977    7.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977    5.7380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1961    5.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9285    5.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6938    3.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511    3.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420    5.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    5.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5579    7.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3436    5.6895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2397    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6086    7.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3562    6.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8811    5.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  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
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  1  0  0  0
 29 27  1  0  0  0  0
 29 30  1  6  0  0  0
 31 29  1  0  0  0  0
 31 32  1  6  0  0  0
 33 31  1  0  0  0  0
 33 34  1  6  0  0  0
 35 33  1  0  0  0  0
 35 36  1  1  0  0  0
 37 35  1  0  0  0  0
 37 38  1  6  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  2  0  0  0  0
 42 37  1  0  0  0  0
 42  3  1  0  0  0  0
 42 43  1  6  0  0  0
 44 18  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  1  0  0  0  0
 55 51  1  0  0  0  0
 56 50  1  0  0  0  0
 57 56  1  0  0  0  0
 57 47  1  0  0  0  0
 58 44  2  0  0  0  0
 59 58  1  0  0  0  0
 60 58  1  0  0  0  0
 60 15  1  0  0  0  0
 61 60  2  0  0  0  0
 61 10  1  0  0  0  0
 62 61  1  0  0  0  0
 62  7  1  0  0  0  0
 63 62  2  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2023-11-13, 1157👍, 0💬