Molecule FYI-1001083

A

Molecule Summary:

ID: FYI-1001083
SMILES: Cc1cn([C@@]2([H])C[C@@]([H])([C@@]([H])(CO[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)O2)N=[N+]=[N-])c(=O)nc1O

Received at FYIcenter.com on: 2021-12-03

Molecule ID: FYI-1001083 Edit

Molecule Structure SMILES String: Cc1cn([C@@]2([H])C[C@@]([H])([C@@]([H])(CO[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)O2)N=[N+]=[N-])c(=O)nc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001083
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
   13.9208    7.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0979    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    6.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    5.2246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0596    4.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    4.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8444    3.7993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292    2.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4521    3.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7175    6.3638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491    6.7964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806    7.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    4.3306    0.0000 O   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  3  1  0  0  0  0
  5  4  1  6  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  1  6  0  0  0
 11 17  1  0  0  0  0
 16 14  1  0  0  0  0
 15 17  2  0  0  0  0
 18 16  1  0  0  0  0
 17  4  1  0  0  0  0
 20 18  1  0  0  0  0
 19 21  3  0  0  0  0
 22 20  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  6  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 22  1  0  0  0  0
 27 14  1  0  0  0  0
 20 28  1  1  0  0  0
 18 29  1  6  0  0  0
 16 30  1  1  0  0  0
 31 10  1  0  0  0  0
 31  5  1  0  0  0  0
  8 23  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001083-3D
FYIcenter.com

 52 54  0  0  1  0  0  0  0  0999 V2000
    4.8775  -11.4322    4.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7800  -10.8958    5.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0121   -9.6014    5.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518   -9.1742    6.6708 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2421   -7.7454    6.8586 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8510   -7.4505    7.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7048   -7.3511    6.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8621   -7.3174    5.1838 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0164   -8.3135    4.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5192   -6.7296    4.7739 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6706   -5.6533    4.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9859   -7.2245    3.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828   -6.7005    3.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197   -5.2901    2.8314 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5065   -5.0919    2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3739   -4.7410    2.3309 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5636   -4.9938    3.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024   -3.2074    2.2097 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1387   -2.9619    1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854   -2.5378    3.4753 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3465   -2.5737    4.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510   -3.2758    3.8782 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1496   -3.2079    3.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9562   -2.8253    5.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7481   -1.9043    5.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5877   -3.6161    6.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9754   -4.6431    4.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3478   -1.1695    3.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2261   -2.6203    1.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0075   -5.2782    1.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5714   -6.9759    5.8363 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9090   -6.3830    4.7847 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0683   -6.8273    4.7520 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1297   -7.2350    4.7043 N   0  5  0  0  0  0  0  0  0  0  0  0
    7.5842  -10.0859    7.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3398   -9.7035    8.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3570  -11.4222    7.3311 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5366  -11.7535    6.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2962  -13.0552    6.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4327  -10.6297    3.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631  -12.0150    4.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4393  -12.0744    3.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4689   -8.8450    5.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4408   -8.0013    7.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8515   -6.3405    7.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -8.3127    3.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978   -6.9978    2.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0701   -4.3868    5.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061   -0.8036    2.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809   -3.1143    1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9386   -6.2451    1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8170  -13.5449    6.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  2  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 43  1  0  0  0  0
  4 35  1  0  0  0  0
  5  7  1  0  0  0  0
  5 31  1  0  0  0  0
  5  6  1  1  0  0  0
  5  4  1  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8  9  1  6  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 15  1  6  0  0  0
 14 13  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 20 28  1  0  0  0  0
 22 27  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  6  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 1236👍, 0💬