Molecule FYI-1006799

A

Molecule Summary:

ID: FYI-1006799
Names:
InChIKey: FMABZRUGTFUOAV-QVUVTZRVSA-N
SMILES: COc2ccc1C[C@H]4N(C)CC[C@]35c1c2O[C@H]3[C@]6(OC)CC[C@@]45C[C@@H]6CNC(=O)/C=C/c7ccccc7N(=O)=O

Received at FYIcenter.com on: 2024-01-18

Molecule ID: FYI-1006799 Edit

Molecule Structure InChIKey: FMABZRUGTFUOAV-QVUVTZRVSA-N

Molecule Structure SMILES String: COc2ccc1C[C@H]4N(C)CC[C@]35c1c2O[C@H]3[C@]6(OC)CC[C@@]45C[C@@H]6CNC(=O)/C=C/c7ccccc7N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006799
FYIcenter.com

 40 46  0  0  1  0  0  0  0  0999 V2000
   17.7824    4.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4502    5.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4494    4.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7808    2.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7800    1.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5782    2.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9442    3.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1173    4.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5130    5.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1388    5.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8115    6.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7555    7.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5272    8.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6103    5.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7654    4.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8044    3.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3775    3.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397    5.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    6.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2077    5.4515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064    6.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064    7.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052    5.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038    6.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4026    5.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    6.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4026    4.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038    3.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038    1.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052    4.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9931    1.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0757    1.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2705    1.5591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1711    2.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1821    3.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8937    4.1501    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  6  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 11  1  0  0  0  0
 18 19  1  6  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  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
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  2  0  0  0  0
 34 16  1  0  0  0  0
 35 34  1  0  0  0  0
 35  6  1  0  0  0  0
 34 36  1  1  0  0  0
 37 36  1  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  1  0  0  0
 40  7  1  0  0  0  0
 40 10  1  0  0  0  0
 40 16  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-01-24, 1144👍, 0💬