Molecule FYI-1001773

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Molecule Summary:

ID: FYI-1001773
SMILES: c1c(cc(c2c1C(=O)c3c4c(cnc3C2=O)CCCC4)O)C(=O)O

Received at FYIcenter.com on: 2022-11-28

Molecule ID: FYI-1001773 Edit

Molecule Structure SMILES String: c1c(cc(c2c1C(=O)c3c4c(cnc3C2=O)CCCC4)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001773
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
   -2.1568   -1.1606    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402   -0.6300   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6238    0.7473   -0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316    1.6067   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2472    1.0839    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631   -0.3111    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004   -0.8587    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609   -2.0196    0.6771 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    0.0251    0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7507   -0.5109    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8012    0.3576   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5465    1.7237   -0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293    2.2063   -0.1416 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    1.4144    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788    1.9832    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2330    3.1749    0.3627 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2195   -0.1173   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3719   -1.5434    0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811   -2.4156   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310   -1.9996    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7142    2.9476   -0.1542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6066   -1.5359   -0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4488   -2.7378   -0.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3692    2.4053   -0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852   -0.0936   -1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    0.5434    0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538   -1.9309   -0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2609   -1.5473    1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2749   -2.2687   -1.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4717   -3.4641   -0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8836   -2.2974    1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324   -2.4978   -0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8652    3.3775    0.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5741   -1.6588   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 20  1  0  0  0  0
  4 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
 12 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
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 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001773-3D
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
   -3.0713    1.6660   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4162    1.3470    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7959    0.0039    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8282   -1.0033    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -0.6900   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1097    0.6514   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7061    1.0367   -0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615    2.1756   -0.7612 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3637    0.0426   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7266    0.3914   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6731   -0.6451    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -1.9573    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9111   -2.3029    0.0342 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -1.2991   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147   -1.7228   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6973   -2.8928   -0.4571 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1516   -0.3834    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491    1.0203   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    2.0428    0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1887    1.8339   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2217   -2.3031    0.2701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3664    2.4715    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0171    3.5452    0.8109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6315    2.2133   -0.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7671    2.7124   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8256   -0.2624    0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963   -2.7941    0.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7158   -1.1132   -0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318   -0.5229    1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880    1.1007   -1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5891    1.2191    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9501    3.0596    0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721    1.9485    1.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    2.1967   -1.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5462    2.4486    0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1870   -2.3932    0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7704    1.4034   -0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
$$$$

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2023-01-06, 316👍, 0💬