Molecule FYI-1001743

Home > Molecule

A

Molecule Summary:

ID: FYI-1001743
SMILES: O=C(N(CCC1)[C@@H]1C(O)=O)[C@H](CCCCN)N(N=O)[C@H](C(O)=O)CCC2=CC=CC=C2

Received at FYIcenter.com on: 2022-11-18

Molecule ID: FYI-1001743 Edit

Molecule Structure SMILES String: O=C(N(CCC1)[C@@H]1C(O)=O)[C@H](CCCCN)N(N=O)[C@H](C(O)=O)CCC2=CC=CC=C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001743
FYIcenter.com

 31 32  0  0  1  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1681    7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4592    8.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    6.7965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 17  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  6  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001743-3D
FYIcenter.com

 61 62  0  0  1  0  0  0  0  0999 V2000
    3.7889   -2.4900    0.6253 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878   -2.8379    1.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585   -3.5125    0.2195 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0566   -4.0739    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0047   -3.3723   -0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2010   -3.3222   -1.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471   -3.1307   -1.2163 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8148   -3.9439   -2.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1520   -4.9302   -1.4768 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7176   -3.7681   -3.3288 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3469   -2.4895    2.5128 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0725   -3.7145    3.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7943   -3.6288    4.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5090   -4.8241    5.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1112   -4.5753    7.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492   -5.6988    7.9700 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087   -1.1747    2.8691 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851   -1.0382    4.1310 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6688   -0.0593    4.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4073   -0.0314    2.1934 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7779    0.2294    2.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7617    0.8026    4.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8274   -0.0987    2.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5845    1.2695    2.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2655    2.2801    1.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4389    3.5251    0.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5970    4.6219    1.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8377    5.7818    1.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091    5.8507    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336    4.7623   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    3.6029   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0092   -5.1461    0.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3318   -3.9533    1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9556   -3.8986   -0.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2059   -2.3543   -0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3275   -4.2614   -2.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5313   -2.5079   -2.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4455   -2.0785   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3033   -4.8558   -0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4307   -2.3382    2.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9925   -3.8424    3.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -4.6289    2.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4948   -2.7350    5.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -3.5412    4.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294   -5.7352    5.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4253   -4.9704    5.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6847   -3.6653    7.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1931   -4.4245    7.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431   -5.8105    8.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2209   -5.4859    8.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6209   -0.3394    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    0.9401    4.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4307    1.7558    3.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902    1.0214    1.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4525    1.8244    0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    2.5648    1.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3216    4.5900    2.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758    6.6290    2.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242    6.7550    0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0093    4.8143   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    2.7619   -0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 39  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11  2  1  0  0  0  0
 11 40  1  6  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 17  1  0  0  0  0
 20 51  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 57  1  0  0  0  0
 28 29  2  0  0  0  0
 28 58  1  0  0  0  0
 29 30  1  0  0  0  0
 29 59  1  0  0  0  0
 30 31  2  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 438👍, 0💬