Molecule FYI-1000311

Home > Molecule

A

Molecule Summary:

ID: FYI-1000311
SMILES: Cc1ccc2c(c1)NC(=O)[C@H](O2)C(=O)NCC(C)C

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000311 Edit

Molecule Structure SMILES String: Cc1ccc2c(c1)NC(=O)[C@H](O2)C(=O)NCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000311
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   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
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12  5  1  0  0  0  0
 11 13  1  1  0  0  0
 14 13  2  0  0  0  0
 15 13  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 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000311-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    1.0586    0.0788   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    0.0605   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2975    1.2529   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6963    1.2256   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3673    0.0054   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362   -1.1866   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2415   -1.1645   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3065   -2.4067   -0.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6779   -2.4707   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580   -3.5232   -0.3242 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -1.1666    0.3768 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7391    0.0368   -0.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8474   -1.1768    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6649   -1.6872    0.8373 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2150   -0.5904   -1.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873   -0.5930   -1.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9818   -1.8991   -2.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1442   -2.1392   -3.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4671   -1.8644   -2.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    1.1011   -0.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6778   -0.4045    0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730   -0.4493   -0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    2.2140   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    2.1571   -0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6765   -2.0933   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8093   -3.2714   -0.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2695   -1.1393    1.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5107   -0.0815   -1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2452   -0.4294   -0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6999    0.2644   -2.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8198   -2.7451   -1.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2425   -1.3085   -4.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0841   -2.2545   -3.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4646   -3.0546   -4.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6879   -1.0345   -3.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7696   -2.7942   -3.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0890   -1.7449   -1.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2780👍, 0💬