Molecule FYI-1002621

A

Molecule Summary:

ID: FYI-1002621
Names:
InChIKey: ZNASMOHVFBYBMY-OKILXGFUSA-N
SMILES: O=C3N[C@@H]1[C@H](NC(=O)N1C2CCCCC2)N3C4CCCCC4

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002621 Edit

Molecule Structure InChIKey: ZNASMOHVFBYBMY-OKILXGFUSA-N

Molecule Structure SMILES String: O=C3N[C@@H]1[C@H](NC(=O)N1C2CCCCC2)N3C4CCCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002621
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    6.1564    7.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    6.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    7.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3739    8.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4143    9.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1233   11.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   11.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7514   10.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0425    9.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    6.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    6.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    4.1082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7422    1.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0332    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4051    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7977    5.4397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  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 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 21 10  1  0  0  0  0
 21 22  1  6  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002621-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
   -1.1495    3.1819   -0.2317 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498   -3.1826    0.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187    0.8288    0.0545 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -0.8295   -0.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6333    1.5924   -0.2559 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -1.5930    0.2523 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873   -0.1835    0.4319 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5879    0.1829   -0.4353 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9472    0.6825   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9476   -0.6833    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2823   -0.3357   -1.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5813    0.2928    1.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869   -0.2902   -1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769    0.3327    1.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439    2.0309   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442   -2.0316    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7887   -0.5463   -1.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0871    0.0796    1.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0920   -0.0773   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7823    0.5465    1.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4190   -0.9327    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4181    0.9346   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -0.0204    1.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765    0.0199   -1.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3472    1.6588   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3475   -1.6599    0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8253   -1.3082   -0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8757    0.0015   -2.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3860    1.0711    1.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1258   -0.6277    1.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1323    0.6310   -1.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3945   -1.0669   -2.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -0.0070    2.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    1.3051    0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    2.2073   -0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -2.2077    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9903   -1.3264   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2548    0.3750   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5716    1.0365    0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4964   -0.2632    2.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5057    0.2664   -2.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5756   -1.0342   -0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2486   -0.3742    1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9794    1.3265    2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5061   -1.0094   -0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0579   -1.9241    0.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046    1.0123    0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0573    1.9259   -0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 17  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 18  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 19  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 20  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 705👍, 0💬