Molecule FYI-1010248

A

Molecule Summary:

ID: FYI-1010248
Names:
InChIKey: JVVUMRUWQBAVNC-ZQRQZVKFSA-N
SMILES: CCCCCCC(=O)CCCCCCCCCC[C@H](O)C(N)(CO)C(=O)O

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010248 Edit

Molecule Structure InChIKey: JVVUMRUWQBAVNC-ZQRQZVKFSA-N

Molecule Structure SMILES String: CCCCCCC(=O)CCCCCCCCCC[C@H](O)C(N)(CO)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010248
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   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
    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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
 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
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 19 27  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010248-3D
FYIcenter.com

 68 67  0  0  1  0  0  0  0  0999 V2000
   16.1425  -20.0571   11.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9803  -20.4794    9.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5238  -19.4102    8.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3663  -19.8227    7.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9218  -18.7327    6.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7902  -19.1030    4.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3460  -17.9918    4.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2758  -17.2815    4.4301 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7167  -17.8314    2.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3757  -16.6876    1.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7596  -16.4929    0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4660  -15.3385   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8862  -15.1042   -1.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6178  -13.9473   -2.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0401  -13.7125   -3.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7474  -12.5580   -4.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1235  -12.3566   -5.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7647  -11.2112   -6.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6694   -9.8465   -5.6736 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3179   -9.5475   -5.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3129   -8.6266   -6.4084 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.6443   -8.2341   -7.6829 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2678   -7.3457   -5.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0211   -7.4751   -4.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7554   -8.9055   -6.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5670   -9.6438   -6.3297 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9727   -8.2724   -8.0335 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7501  -20.8306   11.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6006  -19.1266   11.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1977  -19.8973   11.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9197  -20.6567    9.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5095  -21.4247    9.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5842  -19.2309    8.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9966  -18.4635    8.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3082  -19.9948    7.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8987  -20.7636    7.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9765  -18.5561    6.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3945  -17.7878    6.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7355  -19.2511    4.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3384  -20.0209    4.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6483  -17.6283    2.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8341  -18.7690    2.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4508  -16.8829    1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2789  -15.7608    2.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6879  -16.2788    0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8627  -17.4072   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5391  -15.5526   -0.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3643  -14.4274    0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8149  -14.8798   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865  -16.0097   -2.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6881  -14.1724   -2.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5155  -13.0427   -1.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9679  -13.4941   -3.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1417  -14.6218   -4.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8195  -12.7714   -4.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6471  -11.6597   -3.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0451  -12.1924   -5.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2389  -13.2894   -6.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2915  -11.1737   -7.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8176  -11.4706   -6.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2208   -9.9455   -4.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7006   -9.9912   -5.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6479   -8.3536   -7.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8507   -8.9027   -8.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2427   -7.0665   -5.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6976   -6.4978   -6.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5090   -8.0168   -3.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1882   -7.6965   -8.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  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 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 18  1  0  0  0  0
 19 61  1  1  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 24  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1150👍, 0💬