Molecule FYI-1006424

A

Molecule Summary:

ID: FYI-1006424
Names:
InChIKey: JOUSLTRAASCXCM-PRSXHHODSA-N
SMILES: Nc1ncnc2c1ncn2[C@H]6C[C@H](O)[C@@H](COP(=O)(O)O[C@H]5C[C@H](n4cnc3c(N)ncnc34)O[C@@H]5COP(=O)(O)O)O6

Received at FYIcenter.com on: 2023-12-15

Molecule ID: FYI-1006424 Edit

Molecule Structure InChIKey: JOUSLTRAASCXCM-PRSXHHODSA-N

Molecule Structure SMILES String: Nc1ncnc2c1ncn2[C@H]6C[C@H](O)[C@@H](COP(=O)(O)O[C@H]5C[C@H](n4cnc3c(N)ncnc34)O[C@@H]5COP(=O)(O)O)O6

Download SDF Download SVG Structure in 2D SDF:

FYI-1006424
FYIcenter.com

 43 48  0  0  1  0  0  0  0  0999 V2000
   12.5727    6.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727    5.6145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.1727    6.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0852    4.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2976    5.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5766    5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8677    3.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8273    2.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1183    1.3695    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.4878    1.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4094    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7489    1.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5134    6.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8134    7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3828    8.5769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7522    8.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8985   10.2602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6196   10.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1870   12.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1238   13.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8176   12.4522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8808   11.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3134   10.0804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6828    9.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4440    7.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274    5.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4479    5.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2355    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9565    5.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0891    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1295    2.5853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7197    3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    5.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    4.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    4.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    2.1571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    1.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.9036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    3.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.1189    0.0000 C   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  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 24 15  1  0  0  0  0
 25 14  1  0  0  0  0
 25  5  1  0  0  0  0
 26 36  1  0  0  0  0
 27  2  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  6  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 31 32  1  1  0  0  0
 33 31  1  0  0  0  0
 26 34  2  0  0  0  0
 35 33  1  0  0  0  0
 35 30  1  0  0  0  0
 35 36  1  6  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 41  2  0  0  0  0
 43 37  1  0  0  0  0
 34 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006424-3D
FYIcenter.com

 69 74  0     1  0  0  0  0  0999 V2000
    0.8442    3.3434    0.8992 P   0  0  2  0  0  0  0  0  0  0  0  0
    7.2959    0.1447    0.2275 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477   -0.3940   -1.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6007    1.8465   -1.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1907    2.6879    0.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2959    3.0817   -0.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4157    4.0414   -2.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8681    0.3542   -0.5067 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    4.9388    0.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4864    2.8656    2.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5209    1.5535    0.9889 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609   -0.8801    1.4329 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182   -0.2733   -0.6768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3135   -1.7148   -0.8616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0738    0.3404   -0.1198 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312   -3.4556    0.5245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8637   -1.5685    0.7272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4991   -2.2205   -2.3987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1231    0.6436    1.2969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433   -4.2845   -1.7768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -1.1685    2.9177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9999   -5.5873    0.1247 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692   -2.9808    3.0307 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2787    1.2892    0.1052 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5446    0.8786   -0.6278 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2033    0.7863   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8252   -0.4687   -1.4336 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4609    3.2831   -1.2101 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8673    3.8621   -1.0976 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6381    2.7634   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9809    1.5168   -0.9765 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7562    0.7492    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713    3.6703   -0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2694   -2.4664   -1.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973   -2.3530    0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2188   -0.0135    0.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0453   -0.6267   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732   -3.5387   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7257   -1.1978    1.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8291   -4.4693   -0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0273   -1.7781    2.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309   -3.1877   -2.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5331   -0.0126    2.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2003    0.7870    1.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748    1.5758   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0253    1.5119   -1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473    0.5987   -0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457   -0.5213   -2.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741    3.5550   -2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9151    4.8245   -0.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4814    2.8237    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7143    2.7795   -0.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4190    1.2420   -1.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    1.7042    0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5782   -0.0155    1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9837    3.3166    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4609    4.7583    0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290   -1.9706    0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2521    3.2398   -2.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8559   -0.5895   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6471    5.3754    1.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1016   -3.0710   -3.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321    0.4410    2.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3944   -5.7268    0.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361   -6.2489   -0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3749    1.7164    1.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.2158    1.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9437   -3.3835    3.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3016   -3.4383    2.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 31  1  0  0  0  0
  5 24  1  0  0  0  0
  6 33  1  0  0  0  0
  7 29  1  0  0  0  0
  7 59  1  0  0  0  0
  8 32  1  0  0  0  0
  9 61  1  0  0  0  0
 11 66  1  0  0  0  0
 12 67  1  0  0  0  0
 14 27  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 31  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 35  2  0  0  0  0
 16 38  1  0  0  0  0
 17 37  2  0  0  0  0
 17 39  1  0  0  0  0
 18 34  2  0  0  0  0
 18 42  1  0  0  0  0
 19 36  2  0  0  0  0
 19 43  1  0  0  0  0
 20 40  1  0  0  0  0
 20 42  2  0  0  0  0
 21 41  1  0  0  0  0
 21 43  2  0  0  0  0
 22 40  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 41  1  0  0  0  0
 23 68  1  0  0  0  0
 23 69  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 32  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
 34 38  1  0  0  0  0
 35 58  1  0  0  0  0
 36 39  1  0  0  0  0
 37 60  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 42 62  1  0  0  0  0
 43 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-10, 1901👍, 0💬